Molecule FYI-1009918

A

Molecule Summary:

ID: FYI-1009918
Names:
InChIKey: JMIGCFVTGQGONA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-05-20

Molecule ID: FYI-1009918 Edit

Molecule Structure InChIKey: JMIGCFVTGQGONA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009918
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  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  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  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 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009918-3D
FYIcenter.com

 85 84  0  0  0  0  0  0  0  0999 V2000
    1.0500   -0.0866   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651   -0.0801   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    1.3149   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    1.3242   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1161    2.7196   -0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6334    2.7263   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440    4.1210   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6608    4.1260   -0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1711    5.5205   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6877    5.5253   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1979    6.9198   -1.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7145    6.9246   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2249    8.3191   -1.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7419    8.3243   -1.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2521    9.7200   -2.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7693    9.7282   -2.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2789   11.1263   -2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7954   11.1345   -2.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3316   12.5253   -2.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8418   12.4911   -2.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4591   11.7380   -2.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5667   13.4699   -3.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8915   12.8663   -4.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6502   13.8214   -5.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9738   13.2005   -5.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7356   14.1611   -6.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0606   13.5475   -6.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8577   14.4829   -7.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1584   13.8129   -8.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5002   12.7016   -7.7209 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9410   14.5719   -8.9052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6751   -1.0886    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6648    0.2181   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601    0.6058    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -0.7926   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -0.4067    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7116    2.0285    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    1.6436   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    0.6149   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806    1.0000    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401    3.4312    0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7425    3.0461   -1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0107    2.0169   -1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    2.3998    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7687    4.8307   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7688    4.4488   -1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    3.4166   -1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    3.7985    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    6.2300   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    5.8481   -2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0632    4.8158   -1.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0632    5.1977   -0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223    7.6292   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223    7.2473   -2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    6.2151   -2.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0899    6.5969   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8491    9.0284   -1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492    8.6466   -2.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1170    7.6156   -2.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1171    7.9952   -0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8758   10.4275   -1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8756   10.0480   -3.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1448    9.0189   -2.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1446    9.3983   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9022   11.8325   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9028   11.4530   -3.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1733   10.4221   -3.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1618   10.7912   -1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9935   13.2511   -2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9772   12.8494   -3.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7174   14.4014   -3.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9506   13.6833   -4.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7112   11.9173   -4.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5065   12.6281   -3.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8361   14.7632   -4.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0451   14.0557   -5.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7881   12.2564   -5.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5781   12.9635   -4.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9174   15.1012   -5.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1278   14.3952   -7.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8694   12.5976   -7.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6538   13.3049   -5.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0738   15.4162   -7.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2742   14.7006   -8.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6111   15.4553   -9.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
 15 61  1  0  0  0  0
 15 62  1  0  0  0  0
 16 17  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 19  1  0  0  0  0
 18 67  1  0  0  0  0
 18 68  1  0  0  0  0
 19 20  1  0  0  0  0
 19 69  1  0  0  0  0
 19 70  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 25  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 26  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 27  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 28  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 28 29  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 85  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-29, 1661👍, 0💬