Marvin  01060816232D          

  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  5  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  CHG  1   5  -1
M  END
> <ID>
CHEBI:25224

> <NAME>
methanesulfonate

> <DEFINITION>
A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid.

> <STAR>
3

> <SYNONYM>
methylsulfonate; methanesulfonate

> <IUPAC_NAME>
methanesulfonate

> <FORMULA>
CH3O3S

> <MASS>
95.09872

> <MONOISOTOPIC_MASS>
94.98084

> <CHARGE>
-1

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

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

> <INCHIKEY>
AFVFQIVMOAPDHO-UHFFFAOYSA-M

> <METACYC_ACCESSION>
CPD-3746

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