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CHEBI:59149 - 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone

ChEBI IDCHEBI:59149
ChEBI Name3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
Stars
DefinitionA butan-4-olide having a (4-chlorophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H15ClO5S
Net Charge0
Average Mass318.778
Monoisotopic Mass318.03287
SMILESCC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C13H15ClO5S/c1-13(2)7-9(12(15)19-13)8-18-20(16,17)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHDBZILYPRPDNTH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a arenesulfonate ester (CHEBI:38094)
3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a butan-4-olide (CHEBI:22950)
3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
(5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-chlorobenzene-1-sulfonate
Synonyms  Source
(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonateIUPAC
3-(4-chlorobenzenesulfonyl)oxymethyl-5,5-dimethyldihydro-2(3H)-furanoneChEBI
3-[(4-chlorobenzenesulfonyl)oxymethyl]-5,5-dimethyldihydro-2(3H)-furanoneChEBI
Citations