Molecule Editor

Molecule ID: FYI-1007239 Edit

Molecule Structure InChIKey: UVJHQYIOXKWHFD-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CCC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007239
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    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
    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
  1  2  1  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  1  0  0  0  0
  6  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007239-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.0018    1.4899   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.4901    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572   -0.6719   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    0.6690    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2572    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    2.1380    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    2.1377   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -2.1381   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -2.1379    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038   -1.2046   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066   -1.1994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065    1.1995    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    1.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$