Molecule Editor

Molecule ID: FYI-1003540 Edit

Molecule Structure InChIKey: QJJOAYUATFWLKY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=1=CC=CCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003540
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 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
    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  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003540-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -1.2725    0.7962   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    1.3863    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508   -0.7258    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    0.6227    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -0.8320   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620   -1.2474   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060    1.1508   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    1.1516    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2397    2.4686    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -1.3151   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569    1.0691    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -1.4745    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
M  END
$$$$