Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate · CAS 1088919-86-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
- CAS
- 1088919-86-1
- CID
- 77910496
- IUPAC 名称
- tetrasodium;6-[2-[2-[3-[2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-1-yl]hexanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
- CAS
- 1088919-86-1
- CID
- 77910496
- IUPAC 名称
- tetrasodium;6-[2-[2-[3-[2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-1-yl]hexanoate
分子属性
- 分子式
- C46H50N2Na4O15S4
- 分子量
- 1091.1 g/mol
- 精确质量
- 1090.1684807 Da
- 单同位素质量
- 1090.1684807 Da
- XLogP
- 暂无
- 极性表面积
- 318 Ų
- 氢键供体
- 0
- 氢键受体
- 16
- 可旋转键
- 14
- 重原子数
- 71
- 净电荷
- 0
- 结构复杂度
- 2380
结构标识
- InChIKey
- BFPWPNIEGFGULK-UHFFFAOYSA-J
- SMILES
- CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)OC6=CC=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C46H54N2O15S4.4Na/c1-45(2)37-29-35(66(57,58)59)20-22-39(37)47(26-7-5-6-13-43(49)50)41(45)24-14-31-11-10-12-32(44(31)63-33-16-18-34(19-17-33)65(54,55)56)15-25-42-46(3,4)38-30-36(67(60,61)62)21-23-40(38)48(42)27-8-9-28-64(51,52)53;;;;/h14-25,29-30H,5-13,26-28H2,1-4H3,(H4-,49,50,51,52,53,54,55,56,57,58,59,60,61,62);;;;/q;4*+1/p-4