Molecule FYI-1014197

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Molecule Summary:

ID: FYI-1014197
Names:
InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
SMILES: COc1ccccc1

Received at FYIcenter.com on: 2025-03-11

Molecule ID: FYI-1014197 Edit

Molecule Structure InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014197
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014197-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    1.8925   -0.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -0.3011   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    1.0370   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3918   -1.3114   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -0.9836    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417    0.3545    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227    0.4610    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695    1.8709   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -2.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879    2.4064    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -1.7702    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1974    0.6096    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    1.0652    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373    1.0653   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267    0.0241    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1824👍, 0💬