TFC
概要
| 表記: | 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE |
| 組成式: | C11 H19 F3 O S |
| 電荷: | 0 |
| 化学式量: | 256.328 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one |
| OpenEye OEToolkits | 1.5.0 | 1,1,1-trifluoro-3-octylsulfanyl-propan-2-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 |
| SMILES | ACDLabs | 10.04 | FC(F)(F)C(=O)CSCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCSCC(=O)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CCCCCCCCSCC(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCSCC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCSCC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3 |
| InChIKey | InChI | 1.03 | WMQHRXUKAYSPPK-UHFFFAOYSA-N |
