Marvin  03130817062D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:17137

> <NAME>
hydrogensulfite

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5598; CHEBI:13367

> <SYNONYM>
hydrosulfite anion; hydrogen sulfite(1-); Hydrogen sulfite; HSO3-; HSO3(-); bisulphite; Bisulfite; bisulfite; [SO2(OH)](-)

> <IUPAC_NAME>
monohydrogentrioxosulfate; hydroxidodioxidosulfate(1-); hydrogentrioxosulfate(IV); hydrogentrioxosulfate(1-); hydrogensulfite(1-); hydrogen(trioxidosulfate)(1-)

> <FORMULA>
HO3S

> <MASS>
81.07214

> <MONOISOTOPIC_MASS>
80.96519

> <CHARGE>
-1

> <SMILES>
OS([O-])=O

> <INCHI>
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1

> <INCHIKEY>
LSNNMFCWUKXFEE-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
15181-46-1

> <GMELIN_REGISTRY_NUMBER>
1455

> <CHEMIDPLUS>
15181-46-1

> <KEGG_COMPOUND_ACCESSION>
C11481

> <PDBECHEM_ACCESSION>
SO3

$$$$