Molecule FYI-1007630

A

Molecule Summary:

ID: FYI-1007630
Names:
InChIKey: NZYWARMSJGOUGV-RAXLEYEMSA-N
SMILES: COC(=O)/C(C)=C\\C(C)(CC(C)(CC(C)(C)C(=O)OC)C(=O)OC)C(=O)OC

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007630 Edit

Molecule Structure InChIKey: NZYWARMSJGOUGV-RAXLEYEMSA-N

Molecule Structure SMILES String: COC(=O)/C(C)=C\C(C)(CC(C)(CC(C)(C)C(=O)OC)C(=O)OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007630
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
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    3.6381    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0030    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007630-3D
FYIcenter.com

 60 59  0  0  1  0  0  0  0  0999 V2000
    2.8576    9.4195    3.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    8.2558    2.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    8.1414    1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    8.9265    1.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    7.0402    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282    7.3885   -0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0232    4.8170    1.1296 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.0986    2.7599    1.3072 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.3364   -0.4189    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-17, 1368👍, 0💬