LFZ
概要
| 表記: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid |
| 組成式: | C16 H10 F6 O2 |
| 電荷: | 0 |
| 化学式量: | 348.24 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 | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid |
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/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24) |
| InChIKey | InChI | 1.03 | QXUJSELRLOECDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F |
