2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluorooctoxy)-4-methoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctoxy)-4-octoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;4-methylbenzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluorooctoxy)-4-methoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctoxy)-4-octoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;4-methylbenzenesulfonate
• 英文别名: 2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctoxy)-4-methoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;2-[1-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctoxy)-4-octoxy-1,4-dioxobutan-2-yl]sulfanylethyl-trimethylazanium;4-methylbenzenesulfonate
• 化学式: C57H76F24N2O14S4
• 分子量: 1597.4
• InChiKey: POWAORFKBOHDPU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.99
• 重原子数：
  101
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  287
• 氢给体数：
  0
• 氢受体数：
  40