A1I7I
Summary
| Name: | Isoxaflutole |
| Synonyms: | (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone |
| Formula: | C15 H12 F3 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 359.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3 |
| InChIKey | InChI | 1.06 | OYIKARCXOQLFHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F |
