C6H5ClO4
APtclcactv03241713282D 0   0.00000     0.00000
 
 16 16  0  0  1  0  0  0  0  0999 V2000
    5.2579    1.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    0.4172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5000    1.2262    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -0.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8745    1.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465    1.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    1.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522   -1.6233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    0.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
OC(=O)C[C@]1(Cl)OC(=O)C=C1

> <USER_SUPPLIED_SMILES>
OC(=O)C[C@]1(Cl)OC(=O)C=C1

$$$$
