CHEBI:87692 - mesylmethyl(benzyl)sulfone

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ChEBI Name mesylmethyl(benzyl)sulfone
ChEBI ID CHEBI:87692
Definition A member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H12O4S2
Net Charge 0
Average Mass 248.322
Monoisotopic Mass 248.01770
InChI InChI=1S/C9H12O4S2/c1-14(10,11)8-15(12,13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey YMEITWSIAATQMM-UHFFFAOYSA-N
SMILES C=1(C=CC=CC1)CS(=O)(=O)CS(=O)(=O)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
2275526 Reaxys Registry Number Reaxys
Last Modified
27 August 2015