2-[5-[3,3-Dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-9-sulfonato-3-(sulfonatomethyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7,9-disulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[5-[3,3-Dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-9-sulfonato-3-(sulfonatomethyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7,9-disulfonate
• 英文别名: 2-[5-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-9-sulfonato-3-(sulfonatomethyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7,9-disulfonate
• 化学式: C93H83N6O42S14-11
• 分子量: 2405.6
• InChiKey: YFABPCKOQLUDGS-UHFFFAOYSA-C

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  155
• 可旋转键数：
  19
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  941
• 氢给体数：
  0
• 氢受体数：
  48