Molecule Editor

Molecule ID: FYI-1006448 Edit

Molecule Structure InChIKey: CEVGEUBSSFJLPS-ZVOSEVRTSA-N

Molecule Structure SMILES String: CO/[N+](=C\c2ccc1ccccc1c2)c3ccccc3[S+]([Ru])Cc4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006448
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.1671    4.1195    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   12.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1398   10.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    9.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277   10.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7709   11.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   12.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9691    8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    8.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810    8.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   10.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104    6.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4829    5.7599    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    2.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965    3.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459    6.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665    5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851    3.4351    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.6684    1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9047    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3258    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9471    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  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
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006448-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.7275   -2.2729   -1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871   -1.6422    0.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173   -0.7614    0.7182 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4834    0.1638    1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9967    0.3594    1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    1.1571    2.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8343    1.3091    2.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741    0.6762    2.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460    0.7711    2.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735    0.1238    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6369   -0.6019    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738   -0.7068    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5725   -0.8248    0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2894    0.3969    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.4378    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3994   -0.7375    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7499   -1.9617    0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489   -2.0465    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6693   -3.7310    0.5549 S   0  3  3  0  0  0  0  0  0  0  0  0
    6.6575   -4.4228   -0.7540 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    5.2147   -4.6446    2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138   -6.1120    1.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1129   -8.8470    1.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5776   -8.0254    2.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237   -6.6693    2.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4025   -8.9513    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522   -9.8981    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4976   -6.0549    3.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
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  8 13  2  0  0  0  0
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  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
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 29 51  1  0  0  0  0
M  END
$$$$