Marvin  12030522532D          

  4  3  0  0  0  0            999 V2000
   -1.0717   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  4  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:29219

> <NAME>
chlorous acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3618; CHEBI:23163

> <SYNONYM>
HOClO; HClO2; Chlorite; chlorige Saeure; [ClO(OH)]

> <IUPAC_NAME>
hydroxidooxidochlorine; chlorous acid

> <FORMULA>
ClHO2; HClO2

> <MASS>
68.45944

> <MONOISOTOPIC_MASS>
67.96651

> <CHARGE>
0

> <SMILES>
[H]OCl=O

> <INCHI>
InChI=1S/ClHO2/c2-1-3/h(H,2,3)

> <INCHIKEY>
QBWCMBCROVPCKQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13898-47-0

> <GMELIN_REGISTRY_NUMBER>
1267

> <CHEMIDPLUS>
13898-47-0

> <KEGG_COMPOUND_ACCESSION>
C01486

> <NIST_CHEMISTRY_WEBBOOK>
13898-47-0

$$$$