Molecule FYI-1006452

A

Molecule Summary:

ID: FYI-1006452
Names:
InChIKey: KSFZRMNZDYFUAU-BYEGLACWSA-N
SMILES: Cl[Ru]13Oc5c(C=[N+]1c2ccccc2[S+]3Cc4ccccc4)ccc6ccccc56

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

Molecule ID: FYI-1006452 Edit

Molecule Structure InChIKey: KSFZRMNZDYFUAU-BYEGLACWSA-N

Molecule Structure SMILES String: Cl[Ru]13Oc5c(C=[N+]1c2ccccc2[S+]3Cc4ccccc4)ccc6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006452
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
    4.7420    3.7806    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.1868   11.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    9.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480    9.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552    9.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   10.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941   11.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175    7.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    8.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564    9.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    6.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    5.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8694    4.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    4.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8408    3.1525    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843    1.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5496    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9891    0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9425    4.2464    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    7.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    1.9202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932    6.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 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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 22 21  1  0  0  0  0
 23 22  2  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
 27 22  1  0  0  0  0
 20 21  1  0  0  0  0
  1 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 20  1  0  0  0  0
 20 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006452-3D
FYIcenter.com

 47 52  0  0  0  0  0  0  0  0999 V2000
    1.3329    0.1764   -1.0936 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7515    0.4474   -1.0820 Ru  0  0  3  0  0  0  0  0  0  0  0  0
    3.2394    2.3583   -1.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    2.8963   -0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    2.6811    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889    2.2101    1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965    1.2536    0.7666 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2936    0.6087    1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    1.2954    2.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3227    0.6187    2.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136   -0.7409    2.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -1.4302    1.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5109   -0.7566    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -1.6584    0.1077 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.0918   -1.5512    1.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709   -2.2477    1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316   -3.6200    1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -4.2693    0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915   -3.5577    0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -2.1917    1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -1.5424    1.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    2.8366    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777    3.2313    0.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1584    3.5257   -1.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1176    5.0517   -4.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4 29  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
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  9 31  1  0  0  0  0
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 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
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 27 28  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

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2023-12-31, 3104👍, 0💬