64I
概要
| 表記: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol |
| 組成式: | C12 H2 F8 O2 |
| 電荷: | 0 |
| 化学式量: | 330.13 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 | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol |
| OpenEye OEToolkits | 1.7.6 | 2,3,5,6-tetrakis(fluoranyl)-4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]phenol |
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 | Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F |
| InChI | InChI | 1.03 | InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H |
| InChIKey | InChI | 1.03 | MOFZHBRFFAIMKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F |
| SMILES | CACTVS | 3.370 | Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(O)c(F)c2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F |
