Molecule FYI-1015825

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A

Molecule Summary:

ID: FYI-1015825
Names:
InChIKey: KTWOOEGAPBSYNW-UHFFFAOYSA-N
SMILES: c1cc[cH-]c1.c1cc[cH-]c1.[Fe+2]

Received at FYIcenter.com on: 2025-10-16

Molecule ID: FYI-1015825 Edit

Molecule Structure InChIKey: KTWOOEGAPBSYNW-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc[cH-]c1.c1cc[cH-]c1.[Fe+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1015825
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.2597    1.8519    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.1873    2.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3387    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8517    0.8999    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.9241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3761    2.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517    0.8999    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015825-3D
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
    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
    0.4290   -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
   -0.0192   -0.0017    2.5747 Fe  0  2  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
    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  1  0  0  0  0
  1  5  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  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  1  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
$$$$

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