Molecule Editor

Molecule ID: FYI-1006907 Edit

Molecule Structure InChIKey: NROLLRKCRCVSPY-IZZDOVSWSA-N

Molecule Structure SMILES String: CC(=O)OCC(C)C1CC(=O)C(C)CC/C=C(C)/CC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006907
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
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    3.6068    5.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    4.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    5.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    6.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4335    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6181    4.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4159    5.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6181    3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8964    8.1435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 21 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006907-3D
FYIcenter.com

 47 47  0  0  1  0  0  0  0  0999 V2000
    6.2610    2.7391    2.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    3.1138    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    4.2172    0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    2.0448    0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499    2.2210   -1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2860   -2.0982 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3409    1.5651   -3.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5663    1.3779   -2.1576 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9366    2.8202   -2.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2694    3.3578   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9323    2.8129   -1.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6636    4.6769   -2.7055 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3908    5.8236   -1.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0901    4.6585   -3.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2363    3.7360   -4.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8945    2.3194   -4.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8618    1.9294   -5.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0903    0.2907   -3.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4041   -0.7137   -3.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9101    1.8676    1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4690    2.5311    2.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8597    2.9868   -3.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$