Molecule FYI-1002500

A

Molecule Summary:

ID: FYI-1002500
Names:
InChIKey: OYUPJOPPNUQQOP-QZYMEUQESA-L
SMILES: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Hg]35Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

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

Molecule ID: FYI-1002500 Edit

Molecule Structure InChIKey: OYUPJOPPNUQQOP-QZYMEUQESA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002500
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
    4.7695    4.8189    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    4.1305    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6918    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0048    3.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1087    4.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    3.4421    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4228    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1923    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5771    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
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 19  7  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
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 33 32  2  0  0  0  0
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 35 33  1  0  0  0  0
 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-1002500-3D
FYIcenter.com

 57 62  0  0  0  0  0  0  0  0999 V2000
    5.1932   -8.1672    1.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698   -7.6086    1.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3255   -7.4498    2.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6568   -7.0374    2.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -6.8639    1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587   -7.0146    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505   -7.3058    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3497   -7.1503   -1.0893 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1024   -7.0042   -2.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8136   -5.7024   -2.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1744   -5.7768   -2.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9849   -4.6500   -2.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7064   -4.7867   -3.1892 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4461   -3.4135   -2.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1110   -3.2819   -2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006   -1.6077   -1.8683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2713   -4.4449   -2.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128   -4.3520   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435   -5.6555   -0.4226 Hg  0  0  3  0  0  0  0  0  0  0  0  0
    2.8280   -6.7516   -0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990   -6.0399   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -6.4803   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3153   -0.6586    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  2  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  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
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
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 14 47  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 28  2  0  0  0  0
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 25 27  2  0  0  0  0
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 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
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 34 35  2  0  0  0  0
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 36 37  1  0  0  0  0
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 37 57  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2749👍, 0💬