Molecule FYI-1006448

A

Molecule Summary:

ID: FYI-1006448
Names:
InChIKey: CEVGEUBSSFJLPS-ZVOSEVRTSA-N
SMILES: CO/[N+](=C\\c2ccc1ccccc1c2)c3ccccc3[S+]([Ru])Cc4ccccc4

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

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
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    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
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    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
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  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
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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
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
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   -4.0735    0.1238    1.4585 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
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    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
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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
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 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2001👍, 0💬