Molecule FYI-1005525

A

Molecule Summary:

ID: FYI-1005525
Names:
InChIKey: WDXRGPWQVHZTQJ-XRVIQIRUSA-N
SMILES: C/C=C\\3C(=O)CC4C2CCC1=CC(=O)CCC1(C)C2CCC34C

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005525 Edit

Molecule Structure InChIKey: WDXRGPWQVHZTQJ-XRVIQIRUSA-N

Molecule Structure SMILES String: C/C=C\3C(=O)CC4C2CCC1=CC(=O)CCC1(C)C2CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005525
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.1754    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1803   11.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005525-3D
FYIcenter.com

 51 54  0     1  0  0  0  0  0999 V2000
    4.3253   -2.0500    0.8631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0823   -0.1757   -0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -0.7776   -0.1226 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6420    0.4041   -0.5435 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5780   -0.7322   -0.9845 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3989    0.5714   -0.7035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9682    0.4875    0.3034 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1286    1.7406   -0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324    1.6858   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002   -2.0908   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9200    1.5219   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 51  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1679👍, 0💬