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CHEBI:59150 - 3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone

ChEBI IDCHEBI:59150
ChEBI Name3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
Stars
DefinitionA butan-4-olide having a (4-nitrophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H15NO7S
Net Charge0
Average Mass329.330
Monoisotopic Mass329.05692
SMILESCC1(C)CC(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1
InChIInChI=1S/C13H15NO7S/c1-13(2)7-9(12(15)21-13)8-20-22(18,19)11-5-3-10(4-6-11)14(16)17/h3-6,9H,7-8H2,1-2H3
InChIKeyCIWYMYLIHUQJMN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59150) is a C-nitro compound (CHEBI:35716)
3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59150) is a arenesulfonate ester (CHEBI:38094)
3-[(4-nitrophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59150) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
(5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-nitrobenzene-1-sulfonate
Synonyms  Source
(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-nitrobenzenesulfonateIUPAC
5,5-dimethyl-3-(4-nitrobenzenesulfonyloxy)methyldihydro-2(3H)-furanoneChEBI
3-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethyldihydro-2(3H)-furanoneChEBI
3-[(4-nitrobenzenesulfonyloxy)methyl]-5,5-dimethylbutyrolactoneChEBI
3-(4-nitrobenzenesulfonyloxy)methyl-5,5-dimethylbutyrolactoneChEBI
Citations