Molecule Editor

Molecule ID: FYI-1002278 Edit

Molecule Structure InChIKey: WVIICGIFSIBFOG-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc[o+]cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002278
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 O   0  3  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  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-1002278-3D
FYIcenter.com

 11 11  0     0  0  0  0  0  0999 V2000
    1.2601    0.6131    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.5601   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041    0.7738   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -1.3640    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696    1.3238    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256   -0.7866   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306   -1.0674   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623    1.4296   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818   -2.4428    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    2.4269    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760   -1.2989   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$