Molecule FYI-1001098

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Molecule Summary:

ID: FYI-1001098
SMILES: C1=C[CH-]C=C1.C=1C=C[CH-]C1.[Fe+2]

Received at FYIcenter.com on: 2021-12-25

Molecule ID: FYI-1001098 Edit

Molecule Structure SMILES String: C1=C[CH-]C=C1.C=1C=C[CH-]C1.[Fe+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001098
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
  -12.6435   -1.1289    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5363   -0.1288    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9453    1.0932    0.3129 C   0  5  0  0  0  0  0  0  0  0  0  0
  -13.3872    2.0650    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6873    0.8484   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5007   -0.5249   -0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899   -1.2339   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971   -0.2339    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880    0.9881   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.7434   -0.7050 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9560    1.4911   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -0.6299   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8104    0.0483    0.2552 Fe  0  2  0  0  0  0  0  0  0  0  0  0
  -12.8075   -2.1915    0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5195   -0.2759    1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9774    1.5961   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6200   -1.0346   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -2.2965   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861   -0.3810    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459    1.9600   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3133   -1.1396   -1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 12  2  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001098-3D
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   -0.9630   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260    0.6820   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    1.1420    0.0080 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.2270    0.0490   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -1.1090    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -1.1090    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260    0.6820   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    1.1420    0.0080 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.2270    0.0490   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219   -0.0026    2.5747 Fe  0  2  0  0  0  0  0  0  0  0  0  0
   -1.7617   -1.4175   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774    1.2651   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176    2.1338    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580    0.0914   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -2.0740    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -2.0740    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617   -1.4175   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774    1.2651   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176    2.1338    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580    0.0914   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  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
 10 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-04, 2024👍, 0💬