Molecule Editor

Molecule ID: FYI-1002501 Edit

Molecule Structure InChIKey: KPWXOUQVARNUIO-QZYMEUQESA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002501
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
    4.7695    8.9494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    6.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5771    4.1305    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    5.9619    5.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    4.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    2.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7314    2.7537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    4.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    5.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    6.8841    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
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 19  7  1  0  0  0  0
 20 10  1  0  0  0  0
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 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002501-3D
FYIcenter.com

 57 62  0  0  0  0  0  0  0  0999 V2000
    6.2456   -6.1184    1.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5841   -6.8251    1.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6768   -7.4802    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086   -8.2344    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1539   -7.4432   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709   -7.0735   -1.1513 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6999   -6.7719   -2.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6951   -5.6203   -2.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -5.8023   -2.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9652   -4.7282   -2.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6728   -4.9583   -2.9344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5068   -3.4513   -2.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1955   -3.2586   -1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7446   -1.6007   -1.5036 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.1033   -4.1931   -1.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330   -5.5050   -0.5501 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    2.9957   -6.7006   -0.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6957   -6.0564   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$