Marvin  11290721422D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <ID>
CHEBI:27376

> <NAME>
methanesulfonic acid

> <DEFINITION>
An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6813

> <SYNONYM>
methylsulfonic acid; Methansulfonsaeure; Methanesulfonic acid

> <IUPAC_NAME>
methanesulfonic acid

> <FORMULA>
CH4O3S

> <MASS>
96.10666

> <MONOISOTOPIC_MASS>
95.98812

> <CHARGE>
0

> <SMILES>
CS(O)(=O)=O

> <INCHI>
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)

> <INCHIKEY>
AFVFQIVMOAPDHO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1446024

> <CAS_REGISTRY_NUMBER>
75-75-2

> <GMELIN_REGISTRY_NUMBER>
1681

> <REAXYS_REGISTRY_NUMBER>
1446024

> <CHEMIDPLUS>
75-75-2

> <KEGG_COMPOUND_ACCESSION>
C11145

> <METACYC_ACCESSION>
CPD-3746

> <NIST_CHEMISTRY_WEBBOOK>
75-75-2

> <WIKIPEDIA_ACCESSION>
Methanesulfonic_acid

> <PUBMED_CITATION>
24304088; 24593036

$$$$