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

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ChEBI Name 3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
ChEBI ID CHEBI:61547
ChEBI ASCII Name 3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
Definition A butan-4-olide having a [1-(4-chlorophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C14H17ClO5S
Net Charge 0
Average Mass 332.80000
Monoisotopic Mass 332.04852
InChI InChI=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
InChIKey QBPUSATZGKKPMW-UHFFFAOYSA-N
SMILES CC(OS(=O)(=O)c1ccc(Cl)cc1)C1CC(C)(C)OC1=O
ChEBI Ontology
Outgoing 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-dimethylbutyrolactone ChEBI
Citation Type Source
8075360 PubMed citation Europe PMC
Last Modified
23 October 2014