Molecule FYI-1002996

A

Molecule Summary:

ID: FYI-1002996
Names:
InChIKey: CUDMPYFSXAYVJO-LISRRRQHSA-J
SMILES: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Fe]35(O)(O)Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002996 Edit

Molecule Structure InChIKey: CUDMPYFSXAYVJO-LISRRRQHSA-J

Molecule Structure SMILES String: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Fe]35(O)(O)Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002996
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    4.7340    8.8829    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.1835    8.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8829    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    6.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506    6.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    6.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
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 37 35  1  0  0  0  0
 38 37  2  0  0  0  0
 38 32  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002996-3D
FYIcenter.com

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1908👍, 0💬