Tebuconazole

The active substance and residue definition and compound Tebuconazole, term code RF-0403-001-PPP of the EFSA Harmonized terminology for scientific research, also referred to as 'rac-(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol'. IDENTIFIERS: European Community number (EC Number): 600-834-0. IUPAC name: (RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol. Chemical Abstracts Service (CAS) number: 107534-96-3. Chemical formula: C16H22ClN3O. Simplified molecular-input line-entry system (SMILES) notation: OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1. International Chemical Identifier (InChITM): InChI=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.