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CHEBI:84005 - (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol

ChEBI IDCHEBI:84005
ChEBI Name(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol
Stars
ASCII Name(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol
DefinitionA member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzylidene and geminal dimethyl substituents at positions 1, 2 and 5 respectively.
Last Modified5 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H20ClN3O
Net Charge0
Average Mass317.820
Monoisotopic Mass317.12949
SMILESCC1(C)CC/C(=C\c2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
InChIKeyPPDBOQMNKNNODG-NTEUORMPSA-N
ChEBI Ontology
Outgoing Relation(s)
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005) is a cyclopentanols (CHEBI:23495)
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005) is a monochlorobenzenes (CHEBI:83403)
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005) is a olefinic compound (CHEBI:78840)
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005) is a tertiary alcohol (CHEBI:26878)
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-triticonazole (CHEBI:84006) is a (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005)
(S)-triticonazole (CHEBI:84007) is a (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol (CHEBI:84005)
IUPAC Name 
(5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Manual XrefsDatabases
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