FLB
概要
| 表記: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene |
| 組成式: | C12 H12 F6 O2 |
| 電荷: | 0 |
| 化学式量: | 302.213 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 | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene |
| OpenEye OEToolkits | 1.7.6 | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene |
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)c1cc(OCCOCC)cc(c1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | GWAJLKXPMOKZEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.370 | CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
