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CHEBI:83779 - 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

ChEBI IDCHEBI:83779
ChEBI Name1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
Stars
ASCII Name1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
DefinitionA tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.
Last Modified18 July 2016
Submitternamrata
DownloadsMolfile
FormulaC16H22ClN3O
Net Charge0
Average Mass307.825
Monoisotopic Mass307.14514
SMILESCC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
InChIInChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKeyPXMNMQRDXWABCY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol (CHEBI:83779) is a monochlorobenzenes (CHEBI:83403)
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol (CHEBI:83779) is a tertiary alcohol (CHEBI:26878)
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol (CHEBI:83779) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-tebuconazole (CHEBI:83781) is a 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol (CHEBI:83779)
(S)-tebuconazole (CHEBI:83780) is a 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol (CHEBI:83779)
IUPAC Name 
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
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