HFB
概要
表記: | hexafluorobenzene |
組成式: | C6 F6 |
電荷: | 0 |
化学式量: | 186.055 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 | hexafluorobenzene |
OpenEye OEToolkits | 1.5.0 | 1,2,3,4,5,6-hexafluorobenzene |
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 | Fc1c(F)c(F)c(F)c(F)c1F |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1c(F)c(F)c(F)c(F)c1F |
SMILES | CACTVS | 3.341 | Fc1c(F)c(F)c(F)c(F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1F)F)F)F)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1F)F)F)F)F)F |
InChI | InChI | 1.03 | InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
InChIKey | InChI | 1.03 | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |