FHI
概要
| 表記: | 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID |
| 別名: | IODODIFLUNISAL |
| 組成式: | C13 H7 F2 I O3 |
| 電荷: | 0 |
| 化学式量: | 376.094 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 | 2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-(2,4-difluorophenyl)-2-hydroxy-3-iodo-benzoic 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 | Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) |
| InChIKey | InChI | 1.03 | SSYOLLIRAAWGDJ-UHFFFAOYSA-N |
