Molecule FYI-1002247

A

Molecule Summary:

ID: FYI-1002247
Names:
InChIKey: BEWCMWQKBTZKEY-LISRRRQHSA-J
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Fe](O)(O)Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

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

Molecule ID: FYI-1002247 Edit

Molecule Structure InChIKey: BEWCMWQKBTZKEY-LISRRRQHSA-J

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002247
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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
 11 10  2  0  0  0  0
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 13 11  1  0  0  0  0
 14 13  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-1002247-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
    8.7611   -8.8838    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3214   -7.6055    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7243   -7.5405    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3996   -6.4374   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874   -5.3723   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2871   -5.3939   -0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -6.4945   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0838   -6.4501   -0.5051 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061   -5.3200   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154   -5.1382   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756   -6.2419   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -6.0821   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512   -7.4722   -1.1903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1126   -4.8214   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139   -3.7040   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926   -2.1640   -0.3731 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3200   -3.8288   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0726   -2.7015   -0.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137   -0.9845    0.0027 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.3799   -0.6758   -1.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0505    1.3224    0.5042 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    1.1758    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310    2.2458   -0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960    2.2036   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2246    1.0877   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5822   -0.0058    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1918   -0.0010    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4803   -6.4271   -0.2981 H   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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  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
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  5  6  2  0  0  0  0
  5 45  1  0  0  0  0
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  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
 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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 39 60  1  0  0  0  0
 39 61  1  0  0  0  0
M  END
$$$$

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2023-03-07, 718👍, 0💬