2-[3-[3,3-Dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(sulfonatomethyl)indole-5-sulfonate;[2-[5-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]methanesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[3-[3,3-Dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(sulfonatomethyl)indole-5-sulfonate;[2-[5-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]methanesulfonate
• 英文别名: 2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(sulfonatomethyl)indole-5-sulfonate;[2-[5-[1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]methanesulfonate
• 化学式: C56H55N4O21S7-5
• 分子量: 1344.5
• InChiKey: DDEPRNWJKQVTMY-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  88
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  474
• 氢给体数：
  0
• 氢受体数：
  25