Molecule FYI-1002245

A

Molecule Summary:

ID: FYI-1002245
Names:
InChIKey: YPFSKAOOGKRYLM-QZYMEUQESA-L
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Cd]Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

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

Molecule ID: FYI-1002245 Edit

Molecule Structure InChIKey: YPFSKAOOGKRYLM-QZYMEUQESA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002245
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    2.1000    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 16 10  1  0  0  0  0
 17  7  2  0  0  0  0
 17  2  1  0  0  0  0
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 19 18  1  0  0  0  0
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 36 35  2  0  0  0  0
 36 21  1  0  0  0  0
 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002245-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
   -2.0441   -3.2795    1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -1.9038    0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1402    0.4619    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9807   -2.6454    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -3.8339    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3147   -5.1076    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -6.2825    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2598   -7.8423    0.0910 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4501   -6.2265    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085   -5.0006    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8658   -4.9993   -0.0474 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1722   -2.6599    0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768   -0.8115    0.0993 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    1.0369    0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    1.7528   -1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    3.1510   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  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 45  1  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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2023-03-07, 1379👍, 0💬