Molecule Editor

Molecule ID: FYI-1015840 Edit

Molecule Structure InChIKey: VWJKOSBGRCKAMU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)OCCCOC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)CCCCC(=O)OCCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015840
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.6308    6.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    3.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5153    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7569    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    1.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1553    3.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9674    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1798    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6717   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5713   14.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269   15.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836   15.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   16.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   17.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913   12.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   13.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913   11.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   13.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995   14.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416   16.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   16.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   15.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  2  0  0  0  0
 10  8  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  2  0  0  0  0
 17 15  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 27  1  0  0  0  0
 29 28  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  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
 36  1  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 30 41  1  0  0  0  0
 30 37  2  0  0  0  0
 39 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015840-3D
FYIcenter.com

 79 80  0  0  0  0  0  0  0  0999 V2000
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    7.7602    0.9903   -2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    1.7209   -3.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7916    0.7902   -4.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    0.5631   -5.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8883   -0.7458   -6.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6629   -0.7094   -6.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316   -1.9147   -6.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7668   -2.2209   -5.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463   -3.7032   -5.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5499   -3.8243   -5.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0720   -5.1459   -5.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2492   -5.4703   -4.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5675   -6.6570   -4.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1949   -4.4644   -3.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2233   -4.9836   -3.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1168   -4.1461   -2.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955   -2.7590   -2.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0805   -2.2339   -3.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1870   -3.0739   -4.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1049    1.2559    1.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5748   -0.9197   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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 32 33  1  0  0  0  0
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 33 34  1  0  0  0  0
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 34 35  1  0  0  0  0
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 35 36  2  0  0  0  0
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 40 79  1  0  0  0  0
M  END
$$$$