A04
概要
| 表記: | 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID |
| 組成式: | C12 H7 F3 O4 |
| 電荷: | 0 |
| 化学式量: | 272.177 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 | 5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic 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 |
| SMILES | ACDLabs | 10.04 | O=C(O)c2oc(c1c(OC(F)(F)F)cccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2OC(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(=O)c1oc(cc1)c2ccccc2OC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17) |
| InChIKey | InChI | 1.03 | PSLFQKRPFOCZHR-UHFFFAOYSA-N |
