Potassium;2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Potassium;2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate · CAS 945529-56-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Potassium;2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 945529-56-6
- CID
- 4179816
- IUPAC 名称
- potassium 2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Potassium;2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 945529-56-6
- CID
- 4179816
- IUPAC 名称
- potassium 2-[3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
分子属性
- 分子式
- C35H40KN3O10S2
- 分子量
- 765.9 g/mol
- 精确质量
- 765.17921831 Da
- 单同位素质量
- 765.17921831 Da
- XLogP
- 暂无
- 极性表面积
- 201 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 12
- 重原子数
- 51
- 净电荷
- 0
- 结构复杂度
- 1650
结构标识
- InChIKey
- GYGDXVZRUULRLB-UHFFFAOYSA-M
- SMILES
- CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCCC(=O)ON5C(=O)CCC5=O)(C)C.[K+]
- InChI
- InChI=1S/C35H41N3O10S2.K/c1-6-36-27-16-14-23(49(42,43)44)21-25(27)34(2,3)29(36)11-10-12-30-35(4,5)26-22-24(50(45,46)47)15-17-28(26)37(30)20-9-7-8-13-33(41)48-38-31(39)18-19-32(38)40;/h10-12,14-17,21-22H,6-9,13,18-20H2,1-5H3,(H-,42,43,44,45,46,47);/q;+1/p-1