Molecule Editor

Molecule ID: FYI-1015304 Edit

Molecule Structure InChIKey: LWDKOIVNRQDRGS-UHFFFAOYSA-K

Molecule Structure SMILES String: Cl[Ru](Cl)(Cl)(N1CCCC1)([N+]2=CNCC2)[n+]3cc[nH]c3.CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015304
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.6648    7.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3878    8.4600    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.5658    9.2544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2887    9.8773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    9.0828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2099    7.6654    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8747    8.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945    5.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    6.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869    7.0426    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5987    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308    4.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    4.9111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919    6.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   10.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367   12.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401   11.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014   10.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5296    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2828    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 11  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 19  1  0  0  0  0
  4 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015304-3D
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
    1.2099   -0.6070    0.2540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5254   -0.0826   -0.0335 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    0.7638   -2.3646 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    2.2485    0.8129 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7290   -0.0631   -0.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3169    0.6653    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    1.9198    0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5748    1.3363   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    0.3822   -1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254   -0.8232    2.0062 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2598   -1.7897    2.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.0246    3.7566 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2726   -1.0939    4.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218   -0.1728    3.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254   -2.1223   -0.7740 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2258   -3.2684   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2736   -4.3069   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718   -3.8058   -2.2506 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -2.4780   -2.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827    1.3968   -0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    1.8933   -1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411    0.0350    1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085    0.8605    1.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360    2.4540    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1258    2.6182    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    0.7508   -0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    2.0861   -1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9304   -0.4730   -1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8716    0.9762   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950   -2.3597    1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   -2.7889    4.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7372   -0.5278    5.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938   -1.6703    4.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368    0.8050    3.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302   -0.0204    3.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -3.3804    0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -5.3501   -0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613   -4.3373   -3.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369   -1.8038   -2.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5895    2.1534   -0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    0.4491   -0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807    1.2044   -1.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    2.0328   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184    2.8453   -1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387    1.1438   -1.5939 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 10  1  0  0  0  0
  2 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  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
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$