Molecule Editor

Molecule ID: FYI-1016540 Edit

Molecule Structure InChIKey: ZLYFRDDRQRHRJP-SMQSGIDESA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016540
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
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    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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    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
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    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
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  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
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 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  2  0  0  0  0
 32 33  1  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-1016540-3D
FYIcenter.com

 71 72  0  0  1  0  0  0  0  0999 V2000
    0.9747    0.0019   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.0648    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224   -0.5947   -1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072    1.3565    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    1.6835    1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620    2.9240    1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    3.8776    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292    5.0930    0.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9027    5.3894    1.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5198    6.7827    1.3009 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.4513    7.0679    2.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1576    8.3037    2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467    9.3859    2.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4568   10.5597    2.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138   10.8363    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   11.2219   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9318   -1.0404    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983   -1.8212    1.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$