Molecule Editor

Molecule ID: FYI-1016530 Edit

Molecule Structure InChIKey: MLXFNEYCKFPCHT-UHFFFAOYSA-Q

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)ccc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016530
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   13.3378    1.4000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   12.1253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5502    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7004    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7004    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7626    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9751    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4880    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0631    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2984    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0381    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6381    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  4 15  1  0  0  0  0
  8 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 25 33  1  0  0  0  0
 34 35  1  0  0  0  0
 15 35  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016530-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    9.7363   -6.2465   -0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083   -6.6005   -1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6463   -7.6358   -1.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604   -5.8689   -1.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876   -4.7727   -1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   -3.8778   -1.6197 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9528   -2.9878   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -3.0789   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891   -1.7850   -0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0753   -4.1449   -2.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361   -3.2624   -3.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270   -4.0159   -4.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015   -4.0832   -6.2174 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2821   -3.2851   -6.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762   -3.4974   -8.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852   -4.4931   -8.8139 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7052   -4.5731  -10.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844   -3.8912  -10.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789   -5.2912  -11.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -5.1774  -11.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238   -4.3946  -10.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8872   -5.8269  -12.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -5.7820  -12.4358 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5752   -6.5245  -13.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  2  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$