Marvin  06280716162D          

  9  8  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
    1.7862   -0.2062    0.0000 O   0  5  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
    1.0717    1.0312    0.0000 O   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
    0.3572   -1.0312    0.0000 S   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
  7  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
  9  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
M  CHG  3   5  -1   6  -1   9  -1
M  END
> <ID>
CHEBI:38715

> <NAME>
thiomalate(3-)

> <STAR>
3

> <SYNONYM>
2-sulfidosuccinate

> <IUPAC_NAME>
2-sulfidobutanedioate

> <FORMULA>
C4H3O4S

> <MASS>
147.13022

> <MONOISOTOPIC_MASS>
146.97685

> <CHARGE>
-3

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

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

> <INCHIKEY>
NJRXVEJTAYWCQJ-UHFFFAOYSA-K

> <BEILSTEIN_REGISTRY_NUMBER>
4181562

> <GMELIN_REGISTRY_NUMBER>
327564

$$$$