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CHEBI:83858 - (1R,2S)-bitertanol

ChEBI IDCHEBI:83858
ChEBI Name(1R,2S)-bitertanol
Stars
ASCII Name(1R,2S)-bitertanol
DefinitionA 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1R,2S)-diastereomer of bitertanol.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H23N3O2
Net Charge0
Average Mass337.423
Monoisotopic Mass337.17903
SMILESCC(C)(C)[C@H](O)[C@@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3/t18-,19-/m1/s1
InChIKeyVGPIBGGRCVEHQZ-RTBURBONSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2S)-bitertanol (CHEBI:83858) is a 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83851)
(1R,2S)-bitertanol (CHEBI:83858) is enantiomer of (1S,2R)-bitertanol (CHEBI:83857)
Incoming Relation(s)
bitertanol (CHEBI:3130) has part (1R,2S)-bitertanol (CHEBI:83858)
(1S,2R)-bitertanol (CHEBI:83857) is enantiomer of (1R,2S)-bitertanol (CHEBI:83858)
IUPAC Name 
(1R,2S)-1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol