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CHEBI:140321 - (S)-tefuryltrione

ChEBI IDCHEBI:140321
ChEBI Name(S)-tefuryltrione
Stars
ASCII Name(S)-tefuryltrione
DefinitionA 2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione that has S configuration.
Last Modified4 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H23ClO7S
Net Charge0
Average Mass442.917
Monoisotopic Mass442.08530
SMILESCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COC[C@@H]1CCCO1
InChIInChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3/t12-/m0/s1
InChIKeyUFAPVJDEYHLLBG-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-tefuryltrione (CHEBI:140321) is a 2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione (CHEBI:140319)
(S)-tefuryltrione (CHEBI:140321) is enantiomer of (R)-tefuryltrione (CHEBI:140320)
Incoming Relation(s)
tefuryltrione (CHEBI:140318) has part (S)-tefuryltrione (CHEBI:140321)
(R)-tefuryltrione (CHEBI:140320) is enantiomer of (S)-tefuryltrione (CHEBI:140321)
IUPAC Name 
2-[2-chloro-4-(methylsulfonyl)-3-{[(2S)-tetrahydrofuran-2-ylmethoxy]methyl}benzoyl]cyclohexane-1,3-dione