C6H8O5
APtclcactv03241713432D 0   0.00000     0.00000
 
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 H   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  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  2   6  -1   9  -1
M  END
> <UNIQUE_SMILES>
CCC(C(O)C([O-])=O)C([O-])=O

> <USER_SUPPLIED_SMILES>
CCC(C(=O)[O-])C(C([O-])=O)O

$$$$
