Marvin  10041215302D          

 10  9  0  0  0  0            999 V2000
   -0.5663   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    1.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.9016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770   -1.3141    0.0000 Au  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663   -0.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915   -0.0766    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2808    0.3358    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  0  0  0  0
  2  4  1  0  0  0  0
  5  3  2  0  0  0  0
  4  3  1  0  0  0  0
  9  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
> <ID>
CHEBI:68613

> <NAME>
aurothiomalate(2-)

> <DEFINITION>
A C4-dicarboxylate which is a dianion obtained by the deprotonation of the two carboxy OH groups of aurothiomalic acid.

> <STAR>
3

> <SYNONYM>
aurothiomalate dianion

> <FORMULA>
C4H3AuO4S

> <MASS>
344.09600

> <MONOISOTOPIC_MASS>
343.94287

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)CC(S[Au])C([O-])=O

> <INCHI>
InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3

> <INCHIKEY>
XJHSMFDIQHVMCY-UHFFFAOYSA-K

$$$$