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CHEBI:84001 - (S)-tetraconazole

ChEBI IDCHEBI:84001
ChEBI Name(S)-tetraconazole
Stars
ASCII Name(S)-tetraconazole
DefinitionA 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole that is the (S)-enantiomer of tetraconazole.
Last Modified4 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H11Cl2F4N3O
Net Charge0
Average Mass372.149
Monoisotopic Mass371.02153
SMILESFC(F)C(F)(F)OC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2/t8-/m0/s1
InChIKeyLQDARGUHUSPFNL-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-tetraconazole (CHEBI:84001) is a 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999)
(S)-tetraconazole (CHEBI:84001) is enantiomer of (R)-tetraconazole (CHEBI:84000)
Incoming Relation(s)
tetraconazole (CHEBI:81782) has part (S)-tetraconazole (CHEBI:84001)
(R)-tetraconazole (CHEBI:84000) is enantiomer of (S)-tetraconazole (CHEBI:84001)
IUPAC Name 
1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
Synonyms  Source
S-(-)-TetraconazoleChemIDplus
(-)-TetraconazoleChemIDplus
Registry NumbersSources
Reaxys:6638562Reaxys
CAS:131320-42-8ChemIDplus