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CHEBI:6048 - isoprothiolane sulfoxide

ChEBI IDCHEBI:6048
ChEBI Nameisoprothiolane sulfoxide
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Last Modified9 March 2018
DownloadsMolfile
FormulaC12H18O5S2
Net Charge0
Average Mass306.405
Monoisotopic Mass306.05957
SMILESCC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1=O
InChIInChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3
InChIKeyZFQQZUBSEINSSR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoprothiolane sulfoxide (CHEBI:6048) has functional parent isoprothiolane (CHEBI:6047)
isoprothiolane sulfoxide (CHEBI:6048) is a isopropyl ester (CHEBI:35725)
isoprothiolane sulfoxide (CHEBI:6048) is a sulfoxide (CHEBI:22063)
IUPAC Name 
di(propan-2-yl) (1-oxo-1λ4,3-dithiolan-2-ylidene)propanedioate
Synonyms  Source
Isoprothiolane sulfoxideKEGG COMPOUND
Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxideKEGG COMPOUND
diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonateChEBI
bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxideChemIDplus
2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olateIUPAC
Manual XrefsDatabases
C11112KEGG COMPOUND
Registry NumbersSources
Beilstein:4321780Beilstein
CAS:52303-69-2KEGG COMPOUND
CAS:52303-69-2ChemIDplus