Molecule Editor

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
    3.5506    8.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.7340    4.7831    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.5506    4.0998    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6644    2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1011    4.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1011    3.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846    2.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4680    3.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6517    2.7332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.2846    6.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  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
 10  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 22 21  2  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
   -0.2137   -1.8510   -7.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0505   -4.6930   -4.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2455   -3.0553   -3.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -1.8779   -4.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6464   -0.3821   -4.4093 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.1528   -5.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.3863   -5.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7126    0.7353   -5.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$