SK5
概要
| 表記: | (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one |
| 別名: | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
| 組成式: | C16 H11 F3 O |
| 電荷: | 0 |
| 化学式量: | 276.253 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 | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
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 | 1.03 | InChI=1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+ |
| InChIKey | InChI | 1.03 | KXJRYNOBBVODML-IZZDOVSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)C(=O)\C=C\c2ccccc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(cc1)C(=O)C=Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=CC(=O)c2ccc(cc2)C(F)(F)F |
