Molecule Editor

Molecule ID: FYI-1006449 Edit

Molecule Structure InChIKey: CTMBRFPMUJCIBA-NOUQSPALSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006449
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.1555    4.1103    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   12.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   10.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    9.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   10.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6901   12.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    8.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    8.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   10.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072    6.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1757    3.4274    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.6580    1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7849    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3072    2.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316    2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607    4.6167    0.0000 Cl  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
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  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
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  1 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 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
  1 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006449-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2706   -2.0622   -1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -2.0567   -0.9344 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -1.0286   -0.3593 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4963    0.0093    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    0.3699    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.7537    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972    2.2519    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806    1.3757    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5167   -1.0613   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2323   -0.6389    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193   -0.7037    0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5082   -2.1716   -3.0530 S   0  3  3  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
M  END
$$$$