Molecule Editor

Molecule ID: FYI-1005643 Edit

Molecule Structure InChIKey: JOIWZPKXCXLHQF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ccc(Br)cc1Br)C6C3c2ccccc2C=CN3C(C(=O)c4ccc(Br)cc4Br)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005643
FYIcenter.com

 42 48  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   12.1244    8.4000    0.0000 Br  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
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   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
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  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  6  1  0  0  0  0
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 41 39  1  0  0  0  0
 42 41  2  0  0  0  0
 42 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005643-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    3.2829    0.4450    1.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433    1.0458    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9397    2.2840    1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346    2.7942    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    3.8476    0.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057    4.3935    2.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6543    5.7647    2.9855 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.2891    2.8959    2.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    2.4939    3.4125 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    0.5435   -0.8938 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$