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CHEBI:83906 - (S)-diniconazole

ChEBI IDCHEBI:83906
ChEBI Name(S)-diniconazole
Stars
ASCII Name(S)-diniconazole
DefinitionA (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the (S)-enantiomer of diniconazole.
Last Modified19 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC15H17Cl2N3O
Net Charge0
Average Mass326.227
Monoisotopic Mass325.07487
SMILESCC(C)(C)[C@H](O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1
InChIInChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m1/s1
InChIKeyFBOUIAKEJMZPQG-YGLIYXGISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-diniconazole (CHEBI:83906) is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:83909)
(S)-diniconazole (CHEBI:83906) is enantiomer of diniconazole-M (CHEBI:83911)
Incoming Relation(s)
diniconazole (CHEBI:81913) has part (S)-diniconazole (CHEBI:83906)
diniconazole-M (CHEBI:83911) is enantiomer of (S)-diniconazole (CHEBI:83906)
IUPAC Name 
(1E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Synonyms  Source
diniconazole (+)-formChemIDplus
S-(+)-diniconazoleChEBI
(+)-diniconazoleChEBI
Registry NumbersSources
Reaxys:9634907Reaxys
CAS:83657-19-6ChemIDplus
Citations