Molecule Editor

Molecule ID: FYI-1016541 Edit

Molecule Structure InChIKey: YKZOPJNOTBFTDX-NPJRDEIVSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)COC/C=C/O)cc1)c2ccc(OCC(O)COC/C=C/O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016541
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   18.1864   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
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 27 26  2  0  0  0  0
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 28 12  1  0  0  0  0
 29 28  2  0  0  0  0
 29  9  1  0  0  0  0
  1 30  2  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016541-3D
FYIcenter.com

 71 72  0  0  1  0  0  0  0  0999 V2000
    1.0512    0.0757   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023    0.0276    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170    0.5461   -1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285    0.9235    1.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    0.6160    2.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9358    1.3929    3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    2.4922    3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    3.3067    4.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769    2.9756    5.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3442    4.0083    6.7182 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7765    3.9870    6.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    5.4155    6.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    5.4590    6.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9405    6.7513    6.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    6.7243    6.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364    7.5206    7.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    7.5497    7.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281    2.8178    2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.0401    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435   -1.4146    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -2.4871   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0175   -3.7604   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$