Molecule Editor

Molecule ID: FYI-1016029 Edit

Molecule Structure InChIKey: UEXCJVNBTNXOEH-UHFFFAOYSA-N

Molecule Structure SMILES String: C#Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016029
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    0.0000    3.5000    0.0000 C   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
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016029-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    0.5386   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589    1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537    1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2511    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9676   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    2.1579   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -2.1582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969    2.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -2.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372    0.0001    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352    0.0003    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  3  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$