FTK
概要
| 表記: | 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione |
| 組成式: | C12 H9 F3 O3 |
| 電荷: | 0 |
| 化学式量: | 258.193 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione |
| OpenEye OEToolkits | 1.7.6 | 6,6,6-tris(fluoranyl)-1-phenyl-hexane-1,3,5-trione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)CC(=O)CC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H9F3O3/c13-12(14,15)11(18)7-9(16)6-10(17)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | InChI | 1.03 | GWSILFLOKNCPNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.370 | FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F |
