3-sulfanyl-2-(sulfanylmethyl)propanoate
  CDK    2/12/10,15:27

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.6113   -2.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8862   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737   -2.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6113   -2.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3237   -3.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.3668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8862   -4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612   -4.6168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  5  1  1  0  0  0  0 
  4  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
  7  2  1  0  0  0  0 
  6  3  1  0  0  0  0 
  8  7  1  0  0  0  0 
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:58322

> <NAME>
3-mercapto-2-mercaptomethylpropanoate(1-)

> <DEFINITION>
A monocarboxylic acid anion that is the conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
3-sulfanyl-2-(sulfanylmethyl)propanoate; 3-mercapto-2-mercaptomethylpropanoate anion; 3-mercapto-2-mercaptomethylpropanoate

> <IUPAC_NAME>
3-sulfanyl-2-(sulfanylmethyl)propanoate

> <FORMULA>
C4H7O2S2

> <MASS>
151.22700

> <MONOISOTOPIC_MASS>
150.98930

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)/p-1

> <INCHIKEY>
KRHAHEQEKNJCSD-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
4798613

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