Molecule Editor

Molecule ID: FYI-1007157 Edit

Molecule Structure InChIKey: OQPLHEVBSOOESI-UHFFFAOYSA-N

Molecule Structure SMILES String: [H]1=CC=CC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007157
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 H   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  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007157-3D
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.0737    0.2472   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418    1.1760    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352    0.9914    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -0.3267    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -1.3180    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9247   -0.8662    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001    2.1561   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316    1.8206    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096   -0.5766    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401   -2.3714    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735   -1.5371   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$