Molecule FYI-1006449

A

Molecule Summary:

ID: FYI-1006449
Names:
InChIKey: CTMBRFPMUJCIBA-NOUQSPALSA-M
SMILES: CO/[N+](=C\\c2ccc1ccccc1c2)c3ccccc3[S+](Cc4ccccc4)[Ru]Cl

Received at FYIcenter.com on: 2023-12-21

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
    4.7602   11.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
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  1 22  1  0  0  0  0
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 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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   -3.9731    1.0013    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7609   -0.3786    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2697   -1.5236   -1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.1716   -3.0530 S   0  3  3  0  0  0  0  0  0  0  0  0
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 21 29  1  0  0  0  0
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 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

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2023-12-31, 362👍, 0💬