A1L04
概要
| 表記: | 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol |
| 組成式: | C16 H9 Cl F3 N O3 |
| 電荷: | 0 |
| 化学式量: | 355.696 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 | 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol |
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/C16H9ClF3NO3/c17-9-3-1-8(2-4-9)13-14(24-21-15(13)16(18,19)20)11-6-5-10(22)7-12(11)23/h1-7,22-23H |
| InChIKey | InChI | 1.06 | BYNUBBWBGHJHNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3O)O)Cl |
