Molecule FYI-1005734

A

Molecule Summary:

ID: FYI-1005734
Names:
InChIKey: WTQYWNWRJNXDEG-YFVFXCHESA-N
SMILES: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3

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

Molecule ID: FYI-1005734 Edit

Molecule Structure InChIKey: WTQYWNWRJNXDEG-YFVFXCHESA-N

Molecule Structure SMILES String: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005734
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
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    6.1775   -0.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6895    1.6838    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.1673   -0.2647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4261    0.7012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5662   -0.7735    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.9462   -1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 16 18  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005734-3D
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
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   -0.4884    0.8116   -0.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    0.6897   -1.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    2.7781    1.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1256   -0.3024   -0.6851 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9739   -1.2190   -0.5658 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7298    0.8321    0.1657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5709   -1.1585    0.9143 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.8804   -0.6282   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076    1.6501   -0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-18, 2063👍, 0💬