Molecule Editor

Molecule ID: FYI-1005794 Edit

Molecule Structure InChIKey: UFEOMHFPJREVTP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OCC(=O)C3=CCC4C2CCC1=CC(=O)C=CC1(C)C2=CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005794
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
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    6.1754    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9629   11.4813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8021    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4216    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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  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  2  0  0  0  0
 25 24  1  0  0  0  0
 25 19  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
 27 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005794-3D
FYIcenter.com

 53 56  0     1  0  0  0  0  0999 V2000
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    5.8974    0.4739   -0.3134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4040    0.0495   -2.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0539   -1.1178   -1.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -1.0133    0.9537 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9848    0.2959    0.8597 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3675   -0.8084    1.1129 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9484    0.4347    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6501   -1.8541   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0373    1.6908   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    0.4082    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1251   -1.6247   -1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4505   -0.4015   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 53  1  0  0  0  0
M  END
$$$$