Molecule FYI-1002244

A

Molecule Summary:

ID: FYI-1002244
Names:
InChIKey: AVKTWLNBJDAVQQ-LISRRRQHSA-J
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Zn](O)(O)Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

Received at FYIcenter.com on: 2023-02-10

Molecule ID: FYI-1002244 Edit

Molecule Structure InChIKey: AVKTWLNBJDAVQQ-LISRRRQHSA-J

Molecule Structure SMILES String: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Zn](O)(O)Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002244
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5747    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
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 31 30  2  0  0  0  0
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 36 35  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  2  0  0  0  0
 38 23  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002244-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
    8.3193   -8.1354   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1031   -6.9373    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118   -7.2378    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2578   -6.2499    1.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239   -4.9333    1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5351   -4.5957    1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6384   -5.5628    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3258   -5.0547    0.1834 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552   -5.7180   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635   -5.2183   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968   -6.2395   -1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7597   -6.0047   -1.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -7.2923   -1.8952 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2367   -4.7541   -1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349   -3.7064   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658   -2.2712   -0.4699 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4445   -3.8884   -0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556   -2.8374   -0.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199   -1.0951    0.1087 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    3.9079   -0.6943   -1.5647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6794   -1.1321    1.7181 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794    0.3771    0.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8716    3.1029    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  2  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
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 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
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 39 61  1  0  0  0  0
M  END
$$$$

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2023-03-07, 2006👍, 0💬