2-sulfonatoacetate
  CDK    2/12/10,15:28

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.7145   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0590    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0 
  4  1  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  2  1  0  0  0  0 
  5  7  2  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
M  CHG  1   4  -1
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:58824

> <NAME>
sulfonatoacetate

> <DEFINITION>
An organosulfonate oxoanion that is the dianion of sulfoacetic acid arising from deprotonation of carboxylic acid and sulfo groups.

> <STAR>
3

> <SYNONYM>
sulfoacetate; 2-sulfonatoacetate

> <IUPAC_NAME>
sulfonatoacetate

> <FORMULA>
C2H2O5S

> <MASS>
138.09900

> <MONOISOTOPIC_MASS>
137.96339

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)CS([O-])(=O)=O

> <INCHI>
InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)/p-2

> <INCHIKEY>
AGGIJOLULBJGTQ-UHFFFAOYSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
3905009

> <GMELIN_REGISTRY_NUMBER>
326302

$$$$