2-[2-[2-Chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate;2-[2-[3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[2-[2-Chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate;2-[2-[3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate
• 英文别名: 2-[2-[2-chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate;2-[2-[3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate
• 化学式: C85H83ClN4O24S8-6
• 分子量: 1836.6
• InChiKey: MGESOADVGULTNI-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  12.69
• 重原子数：
  122
• 可旋转键数：
  18
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  540
• 氢给体数：
  0
• 氢受体数：
  28