Marvin  06290712012D          

 12  9  0  0  0  0            999 V2000
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4437    0.0000 Au  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5007    0.2063    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.2063    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  1  2  1  0  0  0  0
  5  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  3  1  0  0  0  0
 11  1  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  4   9  -1  10   1  11  -1  12   1
M  END
> <ID>
CHEBI:35864

> <NAME>
disodium aurothiomalate

> <DEFINITION>
An organic sodium salt which is the disodium salt of gold thiomalic acid, with a basic unit comprising two sodium cations and a divalent aurothiomalate anion.

> <STAR>
3

> <SYNONYM>
sodium aurum(I) thiomalate; sodium aurothiomalate; Na2[Au(thiomalate)]; gold sodium thiomalate; disodium thiomalato-S-gold(I); disodium thiomalato-S-aurate(I); [(1,2-dicarboxyethyl)thio]gold disodium salt

> <IUPAC_NAME>
disodium [2-(sulfanyl-kappaS)butanedioato(3-)]aurate(2-)

> <FORMULA>
C4H3AuNa2O4S

> <MASS>
390.07631

> <MONOISOTOPIC_MASS>
389.92131

> <CHARGE>
0

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

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

> <INCHIKEY>
VXIHRIQNJCRFQX-UHFFFAOYSA-K

> <GMELIN_REGISTRY_NUMBER>
1308855

> <REAXYS_REGISTRY_NUMBER>
14647662

$$$$