1,1'-[(1-氨基-8-羟基-3,6-二磺基 -2,7-萘二基)双[偶氮(4-磺基-3,1-亚苯基)亚氨基[6-[(4-氯-3-磺苯基)氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁]二氢氧化物六钠盐

Sodium hydroxide 4-amino-3,6-bis[(5-{[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate (6:2:1) · CAS 89797-03-5

中文名: 1,1'-[(1-氨基-8-羟基-3,6-二磺基 -2,7-萘二基)双[偶氮(4-磺基-3,1-亚苯基)亚氨基[6-[(4-氯-3-磺苯基)氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁]二氢氧化物六钠盐
中文别名: 暂无
英文名: Sodium hydroxide 4-amino-3,6-bis[(5-{[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate (6:2:1)
CAS: 89797-03-5
CID: 165362659
IUPAC 名称: hexasodium;4-amino-3,6-bis[[5-[[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate;dihydroxide

名称与编号

中文名: 1,1'-[(1-氨基-8-羟基-3,6-二磺基 -2,7-萘二基)双[偶氮(4-磺基-3,1-亚苯基)亚氨基[6-[(4-氯-3-磺苯基)氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁]二氢氧化物六钠盐
中文别名: 暂无
英文名: Sodium hydroxide 4-amino-3,6-bis[(5-{[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate (6:2:1)
CAS: 89797-03-5
CID: 165362659
IUPAC 名称: hexasodium;4-amino-3,6-bis[[5-[[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate;dihydroxide

分子属性

分子式: C52H33Cl2N17Na6O25S6
分子量: 1697.2 g/mol
精确质量: 1694.8920977 Da
单同位素质量: 1694.8920977 Da
XLogP: 暂无
极性表面积: 699 Å²
氢键供体: 10
氢键受体: 40
可旋转键: 16
重原子数: 108
净电荷: 0
结构复杂度: 3580

结构标识

InChIKey: BMXSJCSWZZMGOP-UHFFFAOYSA-H
SMILES: C1=CC(=C[N+](=C1)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)Cl)S(=O)(=O)[O-])NC4=CC(=C(C=C4)S(=O)(=O)[O-])N=NC5=C(C6=C(C(=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC7=C(C=CC(=C7)NC8=NC(=NC(=N8)[N+]9=CC=CC(=C9)C(=O)O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C(=O)O.[OH-].[OH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C52H35Cl2N17O23S6.6Na.2H2O/c53-30-9-5-28(19-36(30)97(83,84)85)58-49-60-47(62-51(64-49)70-13-1-3-23(21-70)45(73)74)56-26-7-11-34(95(77,78)79)32(17-26)66-68-42-38(99(89,90)91)15-25-16-39(100(92,93)94)43(44(72)40(25)41(42)55)69-67-33-18-27(8-12-35(33)96(80,81)82)57-48-61-50(59-29-6-10-31(54)37(20-29)98(86,87)88)65-52(63-48)71-14-2-4-24(22-71)46(75)76;;;;;;;;/h1-22H,(H13-2,55,56,57,58,59,60,61,62,63,64,65,66,67,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94);;;;;;;2*1H2/q;6*+1;;/p-6