EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59147 - 3-[(4-methoxyphenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone

ChEBI IDCHEBI:59147
ChEBI Name3-[(4-methoxyphenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
Stars
DefinitionA butan-4-olide having a (4-methoxyphenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H18O6S
Net Charge0
Average Mass314.359
Monoisotopic Mass314.08241
SMILESCOc1ccc(S(=O)(=O)OCC2CC(C)(C)OC2=O)cc1
InChIInChI=1S/C14H18O6S/c1-14(2)8-10(13(15)20-14)9-19-21(16,17)12-6-4-11(18-3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKeyWLMYUNFAKDPFPM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(4-methoxyphenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59147) is a arenesulfonate ester (CHEBI:38094)
3-[(4-methoxyphenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59147) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
(5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-methoxybenzene-1-sulfonate
Synonyms  Source
(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-methoxybenzenesulfonateIUPAC
3-[[[(4-methoxyphenyl)sulfonyl]oxy]methyl]-5,5-dimethyldihydro-2(3H)-furanoneChEBI
(5,5-dimethyl-2-oxotetrahydro-3-furanyl)methyl 4-methoxybenzenesulfonateChEBI
3-(4-methoxybenzenesulfonyloxy)methyl-5,5-dimethylbutyrolactoneChEBI
Citations