Molecule FYI-1015303

A

Molecule Summary:

ID: FYI-1015303
Names:
InChIKey: PCWDBTFXLGJHIX-UHFFFAOYSA-J
SMILES: Cl[Ru](Cl)(Cl)(Cl)([N+]1=CNCC1)[n+]2cc[nH]c2.CC

Received at FYIcenter.com on: 2025-08-02

Molecule ID: FYI-1015303 Edit

Molecule Structure InChIKey: PCWDBTFXLGJHIX-UHFFFAOYSA-J

Molecule Structure SMILES String: Cl[Ru](Cl)(Cl)(Cl)([N+]1=CNCC1)[n+]2cc[nH]c2.CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015303
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.2602    2.6833    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    3.2602    4.0755    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3864    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    6.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    6.2178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323    3.4993    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4937    3.3285    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3802    1.8566    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    1.8502    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1893    1.2930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8078    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635    0.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5726    2.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4487    4.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  1  7  1  6  0  0  0
  1  8  1  6  0  0  0
  1  9  1  1  0  0  0
  1 10  1  1  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 10 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015303-3D
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
    1.8354   -1.1015    1.5285 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4756   -0.0985    0.0167 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.3967   -0.4391    2.2132 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4756   -2.4931   -0.6286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8861   -0.0516   -0.1604 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4285    0.3428   -2.1070 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3910   -0.0114   -2.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.4164   -4.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    1.1624   -4.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    1.1089   -2.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    1.9968    0.5813 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8831    2.5925    1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    3.9409    1.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9307    4.1678    0.4810 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032    2.9746   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764    0.2650   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.7297   -0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2406   -0.5907   -2.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673    0.2497   -4.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    0.6655   -5.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    2.2061   -4.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    0.5742   -2.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    2.1396   -2.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    2.0844    2.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425    4.7034    2.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    5.0832    0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773    2.8068   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0145   -0.6466    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124    0.0304   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.0782   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -0.0944   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    0.9972    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    1.6422   -0.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$

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