Molecule FYI-1005096

A

Molecule Summary:

ID: FYI-1005096
Names:
InChIKey: AOGDQSSRUAWFND-VRTOBVRTSA-M
SMILES: CCCCCC/C=C/Cc2ccc(C)[n+](Cc1ccccc1)c2.[Cl-]

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005096 Edit

Molecule Structure InChIKey: AOGDQSSRUAWFND-VRTOBVRTSA-M

Molecule Structure SMILES String: CCCCCC/C=C/Cc2ccc(C)[n+](Cc1ccccc1)c2.[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1005096
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.2430    6.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3880    5.0361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6312    6.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2347   12.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2897    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005096-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    6.8997   -2.9275    3.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -2.0814    2.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -2.6946    1.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6318   -1.8787    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894   -2.5400   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264   -1.7531   -2.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4465   -2.3900   -3.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469   -1.7624   -4.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9134   -2.3402   -5.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4202   -2.4280   -5.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6661   -3.0054   -5.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4229   -3.5262   -4.7889 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-27, 2203👍, 0💬