Mrv0541 06061416172D          

  7  6  0  0  0  0            999 V2000
   11.2566  -19.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9711  -18.9553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6856  -19.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -18.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1145  -19.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5586  -18.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3836  -18.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  2  0  0  0  0
M  END
> <ID>
CHEBI:23994

> <NAME>
ethyl methanesulfonate

> <DEFINITION>
A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.

> <STAR>
3

> <SYNONYM>
methylsulfonic acid, ethyl ester; methylsulfonic acid ethyl ester; ethyl methanesulphonate; ethyl mesylate; EMS

> <FORMULA>
C3H8O3S

> <MASS>
124.15900

> <MONOISOTOPIC_MASS>
124.01942

> <CHARGE>
0

> <SMILES>
CCOS(C)(=O)=O

> <INCHI>
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3

> <INCHIKEY>
PLUBXMRUUVWRLT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
62-50-0

> <REAXYS_REGISTRY_NUMBER>
773969

> <CHEMIDPLUS>
62-50-0

> <KEGG_COMPOUND_ACCESSION>
C19239

> <NIST_CHEMISTRY_WEBBOOK>
62-50-0

> <WIKIPEDIA_ACCESSION>
Ethyl_methanesulfonate

> <PUBMED_CITATION>
16039156; 19797863; 20102787; 24475756; 24524729; 24531730; 24728647; 6936603; 7285888

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