Molecule Editor

Molecule ID: FYI-1004864 Edit

Molecule Structure InChIKey: KQAVUGAZLAPNJY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004864
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645    3.5966    0.0000 O   0  0  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  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004864-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -2.0243    0.0000   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.2646    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    1.2646    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7976    0.0000    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -0.6678   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868    0.6678   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -1.8448   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.8445    0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.8446    0.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.8448   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887   -1.2642   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887    1.2641   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$