2-[3-Chloro-5-(1-ethyl-3,3-dimethyl-5-methylsulfonylindol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;2-[3-chloro-5-[1-ethyl-3,3-dimethyl-5-(trifluoromethylsulfonyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;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-[3-Chloro-5-(1-ethyl-3,3-dimethyl-5-methylsulfonylindol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;2-[3-chloro-5-[1-ethyl-3,3-dimethyl-5-(trifluoromethylsulfonyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;4-methylbenzenesulfonate
• 英文别名: 2-[3-chloro-5-(1-ethyl-3,3-dimethyl-5-methylsulfonylindol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;2-[3-chloro-5-[1-ethyl-3,3-dimethyl-5-(trifluoromethylsulfonyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3,5-trimethylindole;4-methylbenzenesulfonate
• 化学式: C76H87Cl2F3N4O10S4
• 分子量: 1472.7
• InChiKey: PTNZAXNZQAKPJU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  17.04
• 重原子数：
  99
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  229
• 氢给体数：
  0
• 氢受体数：
  15