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CHEBI:61546 - 3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethyldihydro-2(3H)-furanone

ChEBI IDCHEBI:61546
ChEBI Name3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethyldihydro-2(3H)-furanone
Stars
ASCII Name3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethyldihydro-2(3H)-furanone
DefinitionA butan-4-olide having a 2-(phenylsulfonyloxy)ethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified20 October 2014
Submitterzjosephs
DownloadsMolfile
FormulaC14H18O5S
Net Charge0
Average Mass298.360
Monoisotopic Mass298.08749
SMILESCC1(C)CC(CCOS(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C14H18O5S/c1-14(2)10-11(13(15)19-14)8-9-18-20(16,17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyYRWFQIZZZNFANG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61546) is a benzenesulfonate ester (CHEBI:83352)
3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethyldihydro-2(3H)-furanone (CHEBI:61546) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
2-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)ethyl benzenesulfonate
Synonym  Source
3-[2-(phenylsulfonyloxy)ethyl]-5,5-dimethylbutyrolactoneChEBI
Citations