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  0  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  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:48854

> <NAME>
sulfurous acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9344; CHEBI:26837

> <SYNONYM>
sulphurous acid; Sulfurous acid; Sulfite; schweflige Saeure; S(O)(OH)2; H2SO3; acido sulfuroso; acide sulfureux; [SO(OH)2]

> <IUPAC_NAME>
trioxosulfuric acid; sulfurous acid; dihydroxidooxidosulfur; dihydrogen trioxosulfate

> <FORMULA>
H2O3S

> <MASS>
82.08008

> <MONOISOTOPIC_MASS>
81.97247

> <CHARGE>
0

> <SMILES>
OS(O)=O

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

> <INCHIKEY>
LSNNMFCWUKXFEE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7782-99-2

> <GMELIN_REGISTRY_NUMBER>
1458

> <CHEMIDPLUS>
7782-99-2

> <KEGG_COMPOUND_ACCESSION>
C00094

> <KNAPSACK_ACCESSION>
C00019662

> <PDBECHEM_ACCESSION>
SO3

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