TA7
概要
| 表記: | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
| 組成式: | C11 H9 F3 O3 |
| 電荷: | 0 |
| 化学式量: | 246.183 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 | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
| OpenEye OEToolkits | 1.7.0 | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
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 | FC(F)(F)C(=O)CC(=O)c1ccc(OC)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H9F3O3/c1-17-8-4-2-7(3-5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3 |
| InChIKey | InChI | 1.03 | NNEIYSHJFCLFES-UHFFFAOYSA-N |
