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CHEBI:61549 - 5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone

ChEBI IDCHEBI:61549
ChEBI Name5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone
Stars
ASCII Name5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone
DefinitionA butan-4-olide having a [1-(4-nitrophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified14 March 2011
Submitterzjosephs
DownloadsMolfile
FormulaC14H17NO7S
Net Charge0
Average Mass343.357
Monoisotopic Mass343.07257
SMILESCC(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)OC1=O
InChIInChI=1S/C14H17NO7S/c1-9(12-8-14(2,3)21-13(12)16)22-23(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,12H,8H2,1-3H3
InChIKeyADFXPKPWYXFXBX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone (CHEBI:61549) is a C-nitro compound (CHEBI:35716)
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone (CHEBI:61549) is a arenesulfonate ester (CHEBI:38094)
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone (CHEBI:61549) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
1-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)ethyl 4-nitrobenzenesulfonate
Synonyms  Source
3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-5,5-dimethylbutyrolactoneChEBI
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-butyrolactoneChEBI
Citations