Molecule FYI-1006186

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Molecule Summary:

ID: FYI-1006186
Names:
InChIKey: PXCDDPIOUAJVRE-UHFFFAOYSA-N
SMILES: c1ccccc1

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006186 Edit

Molecule Structure InChIKey: PXCDDPIOUAJVRE-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006186
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006186-3D
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.3831   -0.2214    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070   -1.3065   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710   -1.0905   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.2109   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967    1.2961    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8812    1.0799    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568   -0.3898    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980   -2.3206   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5535   -1.9359   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    0.3793   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8878    2.3100    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638    1.9255    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1528👍, 0💬