Molecule Editor

Molecule ID: FYI-1010727 Edit

Molecule Structure InChIKey: NEFLDKDZSHCULR-LISRRRQHSA-L

Molecule Structure SMILES String: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Zn]35([OH2+])([OH2+])Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010727
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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    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 Zn  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
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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
 20 10  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-1010727-3D
FYIcenter.com

 63 68  0  0  0  0  0  0  0  0999 V2000
    0.7122   -1.1334   -6.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7293   -4.4230   -5.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5647   -1.6785   -4.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -0.2739   -4.2196 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5277    0.4076   -5.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9071   -0.7951   -3.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667   -1.1885   -2.9118 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240   -2.0794   -1.6379 O   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$