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 ChemicalBook:CB8292656, ChemicalBook:CB5208584, eMolecules:475163, ZINC000008437654 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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