T4X
概要
| 表記: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid |
| 組成式: | C14 H9 F3 O4 |
| 電荷: | 0 |
| 化学式量: | 298.214 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C14H9F3O4/c15-14(16,17)21-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(18)6-9/h1-7,18H,(H,19,20) |
| InChIKey | InChI | 1.06 | GTYQGKSQYCEYBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(O)cc(c1)c2ccc(OC(F)(F)F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cc(c2)O)C(=O)O)OC(F)(F)F |
