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CHEBI:61547 - 3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone

ChEBI IDCHEBI:61547
ChEBI Name3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
Stars
ASCII Name3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
DefinitionA butan-4-olide having a [1-(4-chlorophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 October 2014
Submitterzjosephs
DownloadsMolfile
FormulaC14H17ClO5S
Net Charge0
Average Mass332.805
Monoisotopic Mass332.04852
SMILESCC(OS(=O)(=O)c1ccc(Cl)cc1)C1CC(C)(C)OC1=O
InChIInChI=1S/C14H17ClO5S/c1-9(12-8-14(2,3)19-13(12)16)20-21(17,18)11-6-4-10(15)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyQBPUSATZGKKPMW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61547) is a arenesulfonate ester (CHEBI:38094)
3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61547) is a butan-4-olide (CHEBI:22950)
3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61547) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
1-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)ethyl 4-chlorobenzenesulfonate
Synonym  Source
3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethylbutyrolactoneChEBI
Citations