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CHEBI:87692 - mesylmethyl(benzyl)sulfone

Default Structure
ChEBI IDCHEBI:87692
ChEBI Namemesylmethyl(benzyl)sulfone
Stars
DefinitionA member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group.
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H12O4S2
Net Charge0
Average Mass248.325
Monoisotopic Mass248.01770
SMILESCS(=O)(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12O4S2/c1-14(10,11)8-15(12,13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyYMEITWSIAATQMM-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
mesylmethyl(benzyl)sulfone (CHEBI:87692) has role metabolite (CHEBI:25212)
mesylmethyl(benzyl)sulfone (CHEBI:87692) is a benzenes (CHEBI:22712)
mesylmethyl(benzyl)sulfone (CHEBI:87692) is a sulfone (CHEBI:35850)
IUPAC Name 
{[(methanesulfonyl)methanesulfonyl]methyl}benzene
Registry NumbersSources
Reaxys:2275526Reaxys