5-[[4-氯-6-[[4-[[4-氯-6-[[8-羟基 -3,6-二磺基-7-[(2-磺苯基)偶氮]-1- 萘基]甲氨基]-1,3,5-三嗪-2-基]氨 基]苯基]氨基]-1,3,5-三嗪-2-基]氨 基]-4-羟基-3-[(2-磺苯基)偶 氮]-2,7-萘二磺酸钾钠盐
2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)methylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?) · CAS 118578-11-3
- 中文名
- 5-[[4-氯-6-[[4-[[4-氯-6-[[8-羟基 -3,6-二磺基-7-[(2-磺苯基)偶氮]-1- 萘基]甲氨基]-1,3,5-三嗪-2-基]氨 基]苯基]氨基]-1,3,5-三嗪-2-基]氨 基]-4-羟基-3-[(2-磺苯基)偶 氮]-2,7-萘二磺酸钾钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)methylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)
- CAS
- 118578-11-3
- CID
- 137255455
- IUPAC 名称
- potassium;sodium;5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]-methylamino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
名称与编号
- 中文名
- 5-[[4-氯-6-[[4-[[4-氯-6-[[8-羟基 -3,6-二磺基-7-[(2-磺苯基)偶氮]-1- 萘基]甲氨基]-1,3,5-三嗪-2-基]氨 基]苯基]氨基]-1,3,5-三嗪-2-基]氨 基]-4-羟基-3-[(2-磺苯基)偶 氮]-2,7-萘二磺酸钾钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(2-sulfophenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)methylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)
- CAS
- 118578-11-3
- CID
- 137255455
- IUPAC 名称
- potassium;sodium;5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]-methylamino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
分子属性
- 分子式
- C45H32Cl2KN14NaO20S6+2
- 分子量
- 1414.2 g/mol
- 精确质量
- 1411.9153377 Da
- 单同位素质量
- 1411.9153377 Da
- XLogP
- 暂无
- 极性表面积
- 583 Ų
- 氢键供体
- 11
- 氢键受体
- 34
- 可旋转键
- 18
- 重原子数
- 89
- 净电荷
- 2
- 结构复杂度
- 3150
结构标识
- InChIKey
- CSLRORHQWSNUBG-UHFFFAOYSA-N
- SMILES
- CN(C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)O)S(=O)(=O)O)C6=NC(=NC(=N6)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C(=C8O)N=NC9=CC=CC=C9S(=O)(=O)O)S(=O)(=O)O)Cl.[Na+].[K+]
- InChI
- InChI=1S/C45H32Cl2N14O20S6.K.Na/c1-61(45-54-41(47)53-44(56-45)50-29-19-25(83(67,68)69)15-21-17-33(87(79,80)81)37(39(63)35(21)29)60-58-27-7-3-5-9-31(27)85(73,74)75)23-12-10-22(11-13-23)48-42-51-40(46)52-43(55-42)49-28-18-24(82(64,65)66)14-20-16-32(86(76,77)78)36(38(62)34(20)28)59-57-26-6-2-4-8-30(26)84(70,71)72;;/h2-19,62-63H,1H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,50,53,54,56)(H2,48,49,51,52,55);;/q;2*+1