Marvin  12130514272D          

  3  2  0  0  0  0            999 V2000
   -0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <ID>
CHEBI:18422

> <NAME>
sulfur dioxide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45789; CHEBI:8992; CHEBI:9351

> <SYNONYM>
sulphur dioxide; sulfurous oxide; sulfurous anhydride; SULFUR DIOXIDE; Sulfur dioxide; SO2; SO2; Schwefeldioxid; Schwefel(IV)-oxid; R-764; [SO2]

> <IUPAC_NAME>
sulfur dioxide; dioxidosulfur

> <FORMULA>
O2S

> <MASS>
64.06480

> <MONOISOTOPIC_MASS>
63.96190

> <CHARGE>
0

> <SMILES>
O=S=O

> <INCHI>
InChI=1S/O2S/c1-3-2

> <INCHIKEY>
RAHZWNYVWXNFOC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7446-09-5

> <GMELIN_REGISTRY_NUMBER>
1443

> <CHEMIDPLUS>
7446-09-5

> <KEGG_COMPOUND_ACCESSION>
C09306

> <KEGG_DRUG_ACCESSION>
D05961

> <NIST_CHEMISTRY_WEBBOOK>
7446-09-5

> <PDBECHEM_ACCESSION>
SO2

$$$$