Molecule FYI-1005794

A

Molecule Summary:

ID: FYI-1005794
Names:
InChIKey: UFEOMHFPJREVTP-UHFFFAOYSA-N
SMILES: CC(=O)OCC(=O)C3=CCC4C2CCC1=CC(=O)C=CC1(C)C2=CCC34C

Received at FYIcenter.com on: 2023-11-15

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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    8.6002    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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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   -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
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    3.5598    0.4082    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
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 27 53  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2228👍, 0💬