Molecule Editor

Molecule ID: FYI-1004765 Edit

Molecule Structure InChIKey: PANKHBYNKQNAHN-RTTSOMOKSA-N

Molecule Structure SMILES String: C/C(=C/C=C/C=C(C)/C=C/C=C(C)\C(=O)O)/C=C/C=C(C)\C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004765
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 17  2  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004765-3D
FYIcenter.com

 48 47  0     0  0  0  0  0  0999 V2000
    8.4658    0.0693   -1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2087   -0.6185    1.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5440    0.0154    1.0811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2799   -0.7855   -1.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1974   -1.6264    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852   -0.3800   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8605   -1.8186   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5559   -0.1560   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -0.3107    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9192    0.6442   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -0.8229    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979   -1.1478   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999   -2.8387    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287   -1.7845    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584   -0.0675    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$