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CHEBI:59148 - 3-[(phenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone

ChEBI IDCHEBI:59148
ChEBI Name3-[(phenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
Stars
DefinitionA butan-4-olide having a (phenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H16O5S
Net Charge0
Average Mass284.333
Monoisotopic Mass284.07184
SMILESCC1(C)CC(COS(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C13H16O5S/c1-13(2)8-10(12(14)18-13)9-17-19(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyWJKVLVWWXMKMBD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(phenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59148) is a benzenesulfonate ester (CHEBI:83352)
3-[(phenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59148) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl benzenesulfonate
Synonyms  Source
3-[[(phenylsulfonyl)oxy]methyl]-5,5-dimethyldihydro-2(3H)-furanoneChEBI
(5,5-dimethyl-2-oxotetrahydro-3-furanyl)methyl benzenesulfonateChEBI
dihydro-5,5-dimethyl-3-[[(phenylsulfonyl)oxy]methyl]-2(3H)-furanoneChEBI
3-(benzenesulfonyloxy)methyl-5,5-dimethylbutyrolactoneChEBI
3-[(benzenesulfonyloxy)methyl]-5,5-dimethylbutyrolactoneChEBI
Citations