Molecule Editor

Molecule ID: FYI-1000197 Edit

Molecule Structure SMILES String: CC(C)C1=CC=CC=C1.[CH-]1C=CC=C1.F[Sb-](F)(F)(F)(F)F.[Fe+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1000197
FYIcenter.com

 22 20  0  0  0  0  0  0  0  0999 V2000
    7.7819    6.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    5.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    6.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    4.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    3.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819    3.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    6.5930    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8371    7.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127    8.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    8.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5774    7.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2125    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.5249    0.0000 Fe  0  2  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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000197-3D
FYIcenter.com

 39 37  0  0  0  0  0  0  0  0999 V2000
    1.5803    0.2249    1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -0.1350    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   -1.5989   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    0.9155   -0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603    2.2025   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    3.1614   -1.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742    2.8627   -2.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063    1.6115   -3.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622    0.6456   -2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    2.0622   -0.2146 C   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1720    1.2941   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8099   -0.0299   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449   -0.0772   -0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641    1.2172   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7060   -1.1214   -1.6625 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2406   -1.1694   -0.4157 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    6.1664   -3.1625   -0.3941 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -1.1880   -2.0692 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8504   -1.1631    0.7455 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074    0.8301   -0.4269 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -1.2308    1.2895 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453   -1.5801   -2.8614 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    1.8424   -0.4241    2.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335   -0.0209    1.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6856    1.2760    1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906   -0.1086    0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395   -1.6754   -0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545   -2.2384    0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -2.0898   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    2.4570    0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533    4.1397   -1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    3.6205   -3.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    1.4005   -4.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407   -0.3229   -2.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651    3.1362   -0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1764    1.6667   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4778   -0.8800   -0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8648   -0.9764   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668    1.5269   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
$$$$