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CHEBI:139042 - (S)-flumipropyn

ChEBI IDCHEBI:139042
ChEBI Name(S)-flumipropyn
Stars
ASCII Name(S)-flumipropyn
DefinitionA 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione that has S configuration.
Last Modified14 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H15ClFNO3
Net Charge0
Average Mass347.773
Monoisotopic Mass347.07245
SMILESC#C[C@H](C)Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
InChIInChI=1S/C18H15ClFNO3/c1-3-10(2)24-16-9-15(14(20)8-13(16)19)21-17(22)11-6-4-5-7-12(11)18(21)23/h1,8-10H,4-7H2,2H3/t10-/m0/s1
InChIKeyONNQFZOZHDEENE-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-flumipropyn (CHEBI:139042) is a 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040)
(S)-flumipropyn (CHEBI:139042) is enantiomer of (R)-flumipropyn (CHEBI:139041)
Incoming Relation(s)
flumipropyn (CHEBI:5105) has part (S)-flumipropyn (CHEBI:139042)
(R)-flumipropyn (CHEBI:139041) is enantiomer of (S)-flumipropyn (CHEBI:139042)
IUPAC Name 
2-{5-[(2S)-but-3-yn-2-yloxy]-4-chloro-2-fluorophenyl}-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Registry NumbersSources
Reaxys:5383581Reaxys