Molecule Editor

Molecule ID: FYI-1016398 Edit

Molecule Structure InChIKey: VKTFXQFKVSBQOP-UHFFFAOYSA-N

Molecule Structure SMILES String: S2[Fe]8[s+]1[Mo]9[S+]6[Fe]14S[Fe]%10[s+]3[Fe]%11[S+]5[Fe]23C47[Fe]5(S[Fe]67[s+]89)[s+]%10%11

Download SDF Download SVG Structure in 2D SDF:

FYI-1016398
FYIcenter.com

 18 28  0  0  0  0  0  0  0  0999 V2000
    0.1164    4.2637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9005    2.1217    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    0.8742    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.9926    1.0296    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.9926    2.1217    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.0847    2.1217    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.6852    3.0566    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    3.8058    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.9367    5.4649    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    2.2923    4.5831    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    1.5319    5.1001    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    2.0550    6.1092    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.9926    3.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205    4.2888    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    3.8420    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.0847    1.0296    0.0000 S   0  3  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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 17 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 18  4  1  0  0  0  0
 18  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016398-3D
FYIcenter.com

 18 28  0  0  1  0  0  0  0  0999 V2000
   -2.5864   -1.3643    0.1853 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8827    0.7947    0.6321 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    2.1285    1.7090 S   0  3  3  0  0  0  0  0  0  0  0  0
   -2.0973    3.6637   -0.0488 Mo  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399    3.3364   -1.2522 S   0  3  3  0  0  0  0  0  0  0  0  0
    0.7435    1.9493    0.4956 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    2.7532    1.9115   -0.6095 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -0.1044    0.3047 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   -1.1500    1.8259 S   0  3  3  0  0  0  0  0  0  0  0  0
    2.1140   -2.8481    0.3446 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0839   -2.8520   -0.5875 S   0  3  3  0  0  0  0  0  0  0  0  0
   -0.4272   -1.1363    0.9214 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    0.1289    0.2474   -0.5853 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8548   -1.1622   -2.0461 Fe  0  0  3  0  0  0  0  0  0  0  0  0
   -1.3371   -0.8037   -2.9271 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    1.3096   -2.1136 Fe  0  0  3  0  0  0  0  0  0  0  0  0
   -3.0856    1.8311   -1.3361 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.0783   -1.6454   -1.3036 S   0  3  3  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$