EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61545 - 3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone

ChEBI IDCHEBI:61545
ChEBI Name3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
Stars
ASCII Name3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
DefinitionA butan-4-olide having a 2-[(4-methoxyphenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified14 March 2011
Submitterzjosephs
DownloadsMolfile
FormulaC15H20O6S
Net Charge0
Average Mass328.386
Monoisotopic Mass328.09806
SMILESCOc1ccc(S(=O)(=O)OCCC2CC(C)(C)OC2=O)cc1
InChIInChI=1S/C15H20O6S/c1-15(2)10-11(14(16)21-15)8-9-20-22(17,18)13-6-4-12(19-3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyXRUVELZYLVNPFK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61545) is a arenesulfonate ester (CHEBI:38094)
3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61545) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
2-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)ethyl 4-methoxybenzenesulfonate
Synonym  Source
3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethylbutyrolactoneChEBI
Citations