Molecule FYI-1001998

Home > Molecule

A

Molecule Summary:

ID: FYI-1001998
SMILES: CCCCC/C=C\\C/C=C\\CCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC/C=C\\C/C=C\\CCCCC

Received at FYIcenter.com on: 2023-01-13

Molecule ID: FYI-1001998 Edit

Molecule Structure SMILES String: CCCCC/C=CC/C=CCCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC/C=CC/C=CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001998
FYIcenter.com

 46 45  0  0  0  0  0  0  0  0999 V2000
   23.0363    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001998-3D
FYIcenter.com

125124  0  0  1  0  0  0  0  0999 V2000
    9.1338    4.5337   -8.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    4.8743   -7.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1720    3.8426   -6.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7094    4.1850   -4.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2162    3.1450   -3.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7718    3.4726   -2.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6356    3.6977   -1.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1907    4.0207   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7041    5.3541    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4928    5.5005    1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089    6.8350    1.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5252    6.8357    1.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0570    8.1916    2.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5744    8.1634    2.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1298    9.5010    2.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451    9.4808    2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1291   10.8460    3.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6337   10.9360    3.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   12.3104    3.5220 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.6137   12.5817    4.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9939   11.7292    5.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7182   10.7396    5.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4985   12.1505    7.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4830   11.7287    8.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8701   12.3954    8.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8283   13.8670    8.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2725   14.3625    9.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1631   14.4236    7.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6418   12.4077    3.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2165   12.1278    2.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7319   12.1722    2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2964   11.8835    0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8157   11.9348    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3848   11.6520   -0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9061   11.7021   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4666   11.4186   -1.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9617   11.4656   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6530   12.3306   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1467   12.3917   -2.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7105   12.1238   -3.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4770   13.0145   -4.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0536   12.7305   -5.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5786   12.7843   -5.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1497   12.4929   -7.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6739   12.5454   -7.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2432   12.2566   -8.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7682    5.2808   -9.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7553    3.5540   -8.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268    4.5132   -8.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5766    4.9157   -7.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0407    5.8699   -6.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2679    3.7998   -6.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8034    2.8472   -6.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6127    4.2286   -4.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0781    5.1806   -4.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3114    3.0989   -3.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8405    2.1525   -4.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7024    3.5218   -2.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7072    3.6383   -1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5434    3.2316    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    4.0337    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4166    6.2178   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7878    4.6306    2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6448    7.0546    2.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6289    7.6214    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8855    6.6056    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9203    6.0595    2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099    8.4302    3.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6762    8.9777    1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9166    7.9244    1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9492    7.3779    2.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7888    9.7400    3.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7526   10.2927    2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0044    9.2423    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0347    8.7014    3.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7542   11.0340    4.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7109   11.6150    2.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9840   10.7244    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445   10.1492    3.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7089   13.0892    2.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5319   11.6569    7.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3448   13.2375    7.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081   10.6370    8.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0569   11.9522    9.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2995   12.0950    7.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5431   11.9912    8.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2230   14.0728    9.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2745   15.4572    9.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8340   13.9951   10.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5579   14.1137    7.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8654   14.1068    8.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1205   15.5180    7.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0796   11.6865    4.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9607   13.3929    3.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8258   12.8561    1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9228   11.1309    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0985   11.4300    2.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0552   13.1572    2.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9176   12.6215    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9658   10.8966    0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1942   11.1961    1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1456   12.9214    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0001   12.3895   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0505   10.6646   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2842   10.9670    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2341   12.6915   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0669   12.1496   -2.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1486   10.4278   -2.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4826   10.7702   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1245   13.0286   -3.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5551   11.6566   -1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4493   13.3816   -2.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5038   11.1590   -4.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6981   13.9794   -4.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6614   13.4691   -6.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7301   11.7424   -6.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9657   12.0511   -5.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9127   13.7733   -5.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.7605   13.2241   -8.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8167   11.5027   -7.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0663   11.8134   -6.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0096   13.5354   -7.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.9464   11.2605   -9.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3363   12.2981   -8.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.8893   12.9914   -9.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
  2 51  1  0  0  0  0
  3  4  1  0  0  0  0
  3 52  1  0  0  0  0
  3 53  1  0  0  0  0
  4  5  1  0  0  0  0
  4 54  1  0  0  0  0
  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
  5 56  1  0  0  0  0
  5 57  1  0  0  0  0
  6  7  2  3  0  0  0
  6 58  1  0  0  0  0
  7  8  1  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  2  3  0  0  0
  9 62  1  0  0  0  0
 10 11  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 15 16  1  0  0  0  0
 15 72  1  0  0  0  0
 15 73  1  0  0  0  0
 16 17  1  0  0  0  0
 16 74  1  0  0  0  0
 16 75  1  0  0  0  0
 17 18  1  0  0  0  0
 17 76  1  0  0  0  0
 17 77  1  0  0  0  0
 18 19  1  0  0  0  0
 18 78  1  0  0  0  0
 18 79  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 80  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 81  1  0  0  0  0
 23 82  1  0  0  0  0
 24 25  1  0  0  0  0
 24 83  1  0  0  0  0
 24 84  1  0  0  0  0
 25 26  1  0  0  0  0
 25 85  1  0  0  0  0
 25 86  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 87  1  0  0  0  0
 27 88  1  0  0  0  0
 27 89  1  0  0  0  0
 28 90  1  0  0  0  0
 28 91  1  0  0  0  0
 28 92  1  0  0  0  0
 29 30  1  0  0  0  0
 29 93  1  0  0  0  0
 29 94  1  0  0  0  0
 30 31  1  0  0  0  0
 30 95  1  0  0  0  0
 30 96  1  0  0  0  0
 31 32  1  0  0  0  0
 31 97  1  0  0  0  0
 31 98  1  0  0  0  0
 32 33  1  0  0  0  0
 32 99  1  0  0  0  0
 32100  1  0  0  0  0
 33 34  1  0  0  0  0
 33101  1  0  0  0  0
 33102  1  0  0  0  0
 34 35  1  0  0  0  0
 34103  1  0  0  0  0
 34104  1  0  0  0  0
 35 36  1  0  0  0  0
 35105  1  0  0  0  0
 35106  1  0  0  0  0
 36 37  1  0  0  0  0
 36107  1  0  0  0  0
 36108  1  0  0  0  0
 37 38  2  3  0  0  0
 37109  1  0  0  0  0
 38 39  1  0  0  0  0
 38110  1  0  0  0  0
 39 40  1  0  0  0  0
 39111  1  0  0  0  0
 39112  1  0  0  0  0
 40 41  2  3  0  0  0
 40113  1  0  0  0  0
 41 42  1  0  0  0  0
 41114  1  0  0  0  0
 42 43  1  0  0  0  0
 42115  1  0  0  0  0
 42116  1  0  0  0  0
 43 44  1  0  0  0  0
 43117  1  0  0  0  0
 43118  1  0  0  0  0
 44 45  1  0  0  0  0
 44119  1  0  0  0  0
 44120  1  0  0  0  0
 45 46  1  0  0  0  0
 45121  1  0  0  0  0
 45122  1  0  0  0  0
 46123  1  0  0  0  0
 46124  1  0  0  0  0
 46125  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-05, 629👍, 0💬