For research use only. Not for therapeutic Use.
| Catalog Number | M006343 |
| CAS Number | 912654-91-2 |
| Synonyms | Tembotrione metabolite AE 1417268 |
| Molecular Formula | C17H16ClF3O8S |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]-4,6-dihydroxycyclohexane-1,3-dione |
| InChI | 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 |
| InChIKey | KGPIRVWYAUCFAI-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)C(CC(C2=O)O)O)Cl)COCC(F)(F)F |
