Molecule FYI-1006916

A

Molecule Summary:

ID: FYI-1006916
Names:
InChIKey: RWPBBIMVXCIPCP-LISRRRQHSA-J
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Cd](O)(O)Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006916 Edit

Molecule Structure InChIKey: RWPBBIMVXCIPCP-LISRRRQHSA-J

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006916
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
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 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-1006916-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
    8.3509   -8.0548    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268   -6.8107    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4679   -7.0489    0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3107   -6.0062    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8343   -4.7026    1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5116   -4.4348    0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305   -5.4560    0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847   -5.0075    0.2494 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3053   -5.7226   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9115   -5.2422   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -6.2702   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755   -6.0227   -1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -7.3198   -1.5385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1805   -4.7476   -0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -3.6980   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -2.1983   -0.3717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4149   -3.9030   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2445   -2.8563   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743   -0.9098    0.0615 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -0.5382   -1.8153 O   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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  4  5  1  0  0  0  0
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  5  6  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 39 61  1  0  0  0  0
M  END
$$$$

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2024-01-31, 992👍, 0💬