Molecule FYI-1002501

A

Molecule Summary:

ID: FYI-1002501
Names:
InChIKey: KPWXOUQVARNUIO-QZYMEUQESA-L
SMILES: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Fe]35Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

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

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
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    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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    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
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  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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 36 35  2  0  0  0  0
 36 30  1  0  0  0  0
 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
    7.3204   -6.8195    1.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6768   -7.4802    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0709   -7.0735   -1.1513 N   0  3  0  0  0  0  0  0  0  0  0  0
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    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
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    4.8330   -5.5050   -0.5501 Fe  0  0  3  0  0  0  0  0  0  0  0  0
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  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  3  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
$$$$

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2023-04-26, 1592👍, 0💬