1,1'-[1,4-亚苯基二[亚氨基[6-[[8- 羟基-3,6-二磺基-7-[(2-磺苯基)偶氮]-1-萘基]氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁盐]二氢氧化六钠盐

Pyridinium, 1,1'-[1,4-phenylenebis[imino[6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, hydroxide, sodium salt (1:2:6) · CAS 86422-60-8

中文名: 1,1'-[1,4-亚苯基二[亚氨基[6-[[8- 羟基-3,6-二磺基-7-[(2-磺苯基)偶氮]-1-萘基]氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁盐]二氢氧化六钠盐
中文别名: 暂无
英文名: Pyridinium, 1,1'-[1,4-phenylenebis[imino[6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, hydroxide, sodium salt (1:2:6)
CAS: 86422-60-8
CID: 56843179
IUPAC 名称: hexasodium;5-[[4-(3-carboxypyridin-1-ium-1-yl)-6-[4-[[4-(3-carboxypyridin-1-ium-1-yl)-6-[[8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;dihydroxide

名称与编号

中文名: 1,1'-[1,4-亚苯基二[亚氨基[6-[[8- 羟基-3,6-二磺基-7-[(2-磺苯基)偶氮]-1-萘基]氨基]1,3,5-三嗪-4,2-二基]]]二[3-羧基吡啶翁盐]二氢氧化六钠盐
中文别名: 暂无
英文名: Pyridinium, 1,1'-[1,4-phenylenebis[imino[6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, hydroxide, sodium salt (1:2:6)
CAS: 86422-60-8
CID: 56843179
IUPAC 名称: hexasodium;5-[[4-(3-carboxypyridin-1-ium-1-yl)-6-[4-[[4-(3-carboxypyridin-1-ium-1-yl)-6-[[8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;dihydroxide

分子属性

分子式: C56H36N16Na6O26S6
分子量: 1679.3 g/mol
精确质量: 1677.9697081 Da
单同位素质量: 1677.9697081 Da
XLogP: 暂无
极性表面积: 693 Å²
氢键供体: 10
氢键受体: 40
可旋转键: 16
重原子数: 110
净电荷: 0
结构复杂度: 3390

结构标识

InChIKey: RUJNBZYFAHGSAB-UHFFFAOYSA-H
SMILES: C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)[N+]7=CC=CC(=C7)C(=O)O)NC8=C9C(=CC(=C8)S(=O)(=O)[O-])C=C(C(=C9O)N=NC1=CC=CC=C1S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]1=CC=CC(=C1)C(=O)O)O)S(=O)(=O)[O-].[OH-].[OH-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C56H38N16O24S6.6Na.2H2O/c73-47-43-29(21-41(101(91,92)93)45(47)69-67-35-9-1-3-11-39(35)99(85,86)87)19-33(97(79,80)81)23-37(43)59-53-61-51(63-55(65-53)71-17-5-7-27(25-71)49(75)76)57-31-13-15-32(16-14-31)58-52-62-54(66-56(64-52)72-18-6-8-28(26-72)50(77)78)60-38-24-34(98(82,83)84)20-30-22-42(102(94,95)96)46(48(74)44(30)38)70-68-36-10-2-4-12-40(36)100(88,89)90;;;;;;;;/h1-26H,(H12-2,57,58,59,60,61,62,63,64,65,66,67,68,69,70,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96);;;;;;;2*1H2/q;6*+1;;/p-6