A1I7G
Summary
| Name: | Tembotrione |
| Synonyms: | 2-[2-chloranyl-4-methylsulfonyl-3-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]carbonylcyclohexane-1,3-dione 2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione |
| Formula: | C17 H16 Cl F3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 440.819 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-chloranyl-4-methylsulfonyl-3-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]carbonylcyclohexane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3 |
| InChIKey | InChI | 1.06 | IUQAXCIUEPFPSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(c(Cl)c1COCC(F)(F)F)C(=O)C2C(=O)CCCC2=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(c(Cl)c1COCC(F)(F)F)C(=O)C2C(=O)CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1COCC(F)(F)F)Cl)C(=O)C2C(=O)CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1COCC(F)(F)F)Cl)C(=O)C2C(=O)CCCC2=O |
