Molecule Editor

Molecule ID: FYI-1005053 Edit

Molecule Structure InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccc(Cl)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005053
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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  6  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005053-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -3.0707    0.0000    0.0005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8008    0.0000    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4398    0.0001   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424    1.2080   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -1.2080   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -0.0001    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    2.1522   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741   -2.1558   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    2.1568    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827   -2.1568    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158   -0.9202    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  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  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$