RG6
概要
表記: | 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol |
組成式: | C8 H3 Cl F6 O S2 |
電荷: | 0 |
化学式量: | 328.682 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-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol |
OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4,6-bis(trifluoromethylsulfanyl)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 | Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H |
InChIKey | InChI | 1.06 | VFNOHWLGFSZWDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
SMILES | CACTVS | 3.385 | Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F |