KPQ
概要
| 表記: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide |
| 組成式: | C4 H2 F9 N O2 S |
| 電荷: | 0 |
| 化学式量: | 299.115 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 | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide |
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/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16) |
| InChIKey | InChI | 1.03 | FUVKFLJWBHVMHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F |
