(2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
(2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate · CAS 477908-53-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 477908-53-5
- CID
- 91810959
- IUPAC 名称
- (2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-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
- (2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
- CAS
- 477908-53-5
- CID
- 91810959
- IUPAC 名称
- (2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
分子属性
- 分子式
- C39H45N3O10S2
- 分子量
- 779.9 g/mol
- 精确质量
- 779.25463699 Da
- 单同位素质量
- 779.25463699 Da
- XLogP
- 4.7
- 极性表面积
- 198 Ų
- 氢键供体
- 1
- 氢键受体
- 11
- 可旋转键
- 14
- 重原子数
- 54
- 净电荷
- 0
- 结构复杂度
- 1800
结构标识
- InChIKey
- ROGODJHHEBREAB-UHFFFAOYSA-N
- SMILES
- CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C/C=C/C=C/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C
- InChI
- InChI=1S/C39H45N3O10S2/c1-6-40-31-20-18-27(53(46,47)48)25-29(31)38(2,3)33(40)15-11-8-7-9-12-16-34-39(4,5)30-26-28(54(49,50)51)19-21-32(30)41(34)24-14-10-13-17-37(45)52-42-35(43)22-23-36(42)44/h7-9,11-12,15-16,18-21,25-26H,6,10,13-14,17,22-24H2,1-5H3,(H-,46,47,48,49,50,51)