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CHEBI:59736 - trans-cinnamyl methyl 2-tosylmalonate

ChEBI IDCHEBI:59736
ChEBI Nametrans-cinnamyl methyl 2-tosylmalonate
Stars
ASCII Nametrans-cinnamyl methyl 2-tosylmalonate
DefinitionA tosylmalonate ester in which the esterifying groups are methyl and trans-cinnamyl.
Last Modified14 April 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H20O6S
Net Charge0
Average Mass388.441
Monoisotopic Mass388.09806
SMILESCOC(=O)C(C(=O)OC/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H20O6S/c1-15-10-12-17(13-11-15)27(23,24)18(19(21)25-2)20(22)26-14-6-9-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3/b9-6+
InChIKeyIOZRSGUDLCETGJ-RMKNXTFCSA-N
ChEBI Ontology
Outgoing Relation(s)
trans-cinnamyl methyl 2-tosylmalonate (CHEBI:59736) is a methyl ester (CHEBI:25248)
trans-cinnamyl methyl 2-tosylmalonate (CHEBI:59736) is a sulfone (CHEBI:35850)
trans-cinnamyl methyl 2-tosylmalonate (CHEBI:59736) is a tosylmalonate ester (CHEBI:59734)
IUPAC Names 
methyl (2E)-3-phenylprop-2-en-1-yl [(4-methylphenyl)sulfonyl]propanedioate
methyl (2E)-3-phenylprop-2-en-1-yl (4-methylbenzenesulfonyl)propanedioate
Synonyms  Source
(E)-cinnamyl methyl 2-tosylmalonateChEBI
(E)-cinnamyl methyl tosylmalonateChEBI
Registry NumbersSources
Beilstein:10019070Beilstein
Citations