Molecule Editor

Molecule ID: FYI-1015740 Edit

Molecule Structure InChIKey: UBQKCCHYAOITMY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1cccc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015740
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 N   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
    0.0000    2.1000    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
    0.0000    0.7000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015740-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    2.2820   -0.0231    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -1.1886    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537   -0.0341   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    1.2478   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876   -1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518    1.2166    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -0.0339   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534   -2.0901    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8409    2.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -2.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282    2.1349    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8528   -0.0164   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$