Molecule Editor

Molecule ID: FYI-1008094 Edit

Molecule Structure InChIKey: RMVRSNDYEFQCLF-UHFFFAOYSA-N

Molecule Structure SMILES String: Sc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008094
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    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
    1.2124    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008094-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.7234    0.0000    0.0003 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410   -0.0001   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437    1.2079   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435   -1.2080   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    0.0001    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657    2.1615   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694   -2.1596   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945    2.1485    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947   -2.1484    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    0.0002    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974    1.3300   -0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  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  8  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
$$$$