Molecule FYI-1009091

A

Molecule Summary:

ID: FYI-1009091
Names:
InChIKey: LEPQOCPPYIYDFL-UHFFFAOYSA-N
SMILES: C[n+]2cc(C(=O)NCC[N+](C)(C)Cc1cc(S(N)(=O)=O)cs1)ccc2/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009091 Edit

Molecule Structure InChIKey: LEPQOCPPYIYDFL-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]2cc(C(=O)NCC[N+](C)(C)Cc1cc(S(N)(=O)=O)cs1)ccc2/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1009091
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
   12.1197    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6197    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5197    8.4871    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3072    7.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9197    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009091-3D
FYIcenter.com

 69 68  0  0  0  0  0  0  0  0999 V2000
    0.2986   -2.0731    1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4022   11.2393   -3.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   11.9151   -4.5013 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-05, 1446👍, 0💬