4-羟基-7-[[[[5-羟基-6-[(2-甲氧基苯基)偶氮]-7-磺基-2-萘基]氨基]羰基]氨基]-3-[(2-甲基-4-磺苯基)偶氮]-2-萘磺酸三钠盐

2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(2-methyl-4-sulfophenyl)diazenyl)-, sodium salt (1:3) · CAS 6420-44-6

中文名: 4-羟基-7-[[[[5-羟基-6-[(2-甲氧基苯基)偶氮]-7-磺基-2-萘基]氨基]羰基]氨基]-3-[(2-甲基-4-磺苯基)偶氮]-2-萘磺酸三钠盐
中文别名: 暂无
英文名: 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(2-methyl-4-sulfophenyl)diazenyl)-, sodium salt (1:3)
CAS: 6420-44-6
CID: 22927
IUPAC 名称: trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

名称与编号

中文名: 4-羟基-7-[[[[5-羟基-6-[(2-甲氧基苯基)偶氮]-7-磺基-2-萘基]氨基]羰基]氨基]-3-[(2-甲基-4-磺苯基)偶氮]-2-萘磺酸三钠盐
中文别名: 暂无
英文名: 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(2-methyl-4-sulfophenyl)diazenyl)-, sodium salt (1:3)
CAS: 6420-44-6
CID: 22927
IUPAC 名称: trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

分子属性

分子式: C35H25N6Na3O13S3
分子量: 902.8 g/mol
精确质量: 902.03348124 Da
单同位素质量: 902.03348124 Da
XLogP: 暂无
极性表面积: 337 Å²
氢键供体: 4
氢键受体: 17
可旋转键: 7
重原子数: 60
净电荷: 0
结构复杂度: 1760

结构标识

InChIKey: MSBHLDQWHHNCML-UHFFFAOYSA-K
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/C35H28N6O13S3.3Na/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3