Molecule FYI-1012376

A

Molecule Summary:

ID: FYI-1012376
Names:
InChIKey: UPRIQAWDZBRTHQ-BAGZVPGASA-N
SMILES: COc1ccccc1c2ccc(C)[o+]c2.C=C(O)C2CC[C@H](c1ccccc1Cl)N2C(C)=O

Received at FYIcenter.com on: 2024-09-01

Molecule ID: FYI-1012376 Edit

Molecule Structure InChIKey: UPRIQAWDZBRTHQ-BAGZVPGASA-N

Molecule Structure SMILES String: COc1ccccc1c2ccc(C)[o+]c2.C=C(O)C2CC[C@H](c1ccccc1Cl)N2C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012376
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012376-3D
FYIcenter.com

 62 64  0  0  1  0  0  0  0  0999 V2000
    0.9175    1.2959   -1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1417    2.0864   -2.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    1.0997   -1.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-09-28, 1113👍, 0💬