Molecule Editor

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
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    0.6971    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5664    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.0803    0.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6409    2.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3756    2.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
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 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 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
   -0.0424    3.6383   -0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973    4.1382   -1.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1364    4.6392   -2.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689    4.6185   -3.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    4.0210   -2.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584    3.5257   -1.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0481    1.1508    3.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   -1.2619    2.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0609    2.5722    2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1380    4.1637   -0.8443 H   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
    2.1282    4.0119   -3.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
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 11 12  2  0  0  0  0
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 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
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 28 47  1  0  0  0  0
M  END
$$$$