Molecule Editor

Molecule ID: FYI-1016369 Edit

Molecule Structure InChIKey: RWVXPOTULSAARX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC[N+](CO)(CO)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016369
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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
    0.0000    2.1000    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 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016369-3D
FYIcenter.com

 44 43  0  0  0  0  0  0  0  0999 V2000
    0.9126    0.0599    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306    0.0104    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -0.8275   -1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569   -0.8800   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9666   -1.7171   -2.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4897   -1.7674   -2.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0507   -2.6222   -3.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867   -2.6382   -3.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483   -3.3057   -2.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -3.2768   -2.0933 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.3281   -3.9973   -3.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7317   -3.8885   -3.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1971   -1.8784   -2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6012   -1.1323   -0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0274   -3.9732   -0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4588   -5.2586   -0.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642    0.6642    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -0.9446    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258    0.5028   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904   -0.4167    0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270    1.0304   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5669   -0.4027   -2.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5330   -1.8461   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212   -1.3081   -0.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    0.1365   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -1.2886   -3.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -2.7341   -2.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960   -2.1749   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8936   -0.7502   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7020   -2.2237   -4.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6705   -3.6481   -3.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9448   -1.6104   -3.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9026   -3.1863   -4.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8232   -4.3530   -2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724   -2.8221   -1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911   -3.5461   -4.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0261   -5.0504   -3.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0666   -4.1538   -4.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0317   -1.3843   -2.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2773   -1.9138   -1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1920   -0.3416   -1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6461   -3.3662    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1155   -4.0419   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.4180    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
M  END
$$$$