Molecule Editor

Molecule ID: FYI-1015606 Edit

Molecule Structure InChIKey: WFOXLIDBKMTCCE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc5ccc(OC(=O)c2ccc1cc[nH]c1c2)c(OC(=O)c4ccc3cc[nH]c3c4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015606
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
   14.2787   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    7.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    9.9157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1543    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    8.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    5.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
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  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
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 21 16  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
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 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015606-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.9758    0.9094   -3.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    0.0277   -2.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    0.1503   -1.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432    0.2323   -0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1082    1.4690   -0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4885    1.5416   -0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203    0.3713   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    0.3817   -0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4298    1.2336   -1.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0824    2.0339   -1.9105 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    0.2136    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5537    0.0833    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    0.7464    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9686    0.8250    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4329    1.4630   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3467    1.9125   -1.6455 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1828    1.5143   -1.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5602   -0.8610   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3144   -2.0393   -0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163   -3.0216    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 53  1  0  0  0  0
M  END
$$$$