Tembotrione metabolite M5 (Dihydroxy-tembotrione)

The residue definition Tembotrione metabolite M5 (Dihydroxy-tembotrione), term code RF-00002608-PAR of the EFSA Harmonized terminology for scientific research, also referred to as 'Tembotrione metabolite AE 1417268'. IDENTIFIERS: IUPAC name: 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione. Chemical Abstracts Service (CAS) number: 912654-91-2. Chemical formula: C17H16ClF3O8S. Simplified molecular-input line-entry system (SMILES) notation: CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)C(CC(C2=O)O)O)Cl)COCC(F)(F)F. International Chemical Identifier (InChITM): InChI=1S/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3.