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CHEBI:83839 - (S)-oxpoconazole

ChEBI IDCHEBI:83839
ChEBI Name(S)-oxpoconazole
Stars
ASCII Name(S)-oxpoconazole
DefinitionA {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone that is the (S)-enantiomer of oxpoconazole.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H24ClN3O2
Net Charge0
Average Mass361.873
Monoisotopic Mass361.15570
SMILESCC1(C)CO[C@@](C)(CCCc2ccc(Cl)cc2)N1C(=O)n1ccnc1
InChIInChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3/t19-/m0/s1
InChIKeyFJBGIXKIXPUXBY-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-oxpoconazole (CHEBI:83839) is a {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone (CHEBI:83837)
(S)-oxpoconazole (CHEBI:83839) is conjugate base of (S)-oxpoconazole(1+) (CHEBI:83843)
(S)-oxpoconazole (CHEBI:83839) is enantiomer of (R)-oxpoconazole (CHEBI:83840)
Incoming Relation(s)
oxpoconazole (CHEBI:83832) has part (S)-oxpoconazole (CHEBI:83839)
(S)-oxpoconazole(1+) (CHEBI:83843) is conjugate acid of (S)-oxpoconazole (CHEBI:83839)
(R)-oxpoconazole (CHEBI:83840) is enantiomer of (S)-oxpoconazole (CHEBI:83839)
IUPAC Name 
{(2S)-2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(1H-imidazol-1-yl)methanone