4-[[1-羟基-6-[[[[5-羟基-6-[(2-甲基-4-磺苯基)偶氮]-7-硫代-2-萘基] 氨基]羰基]氨基]-3-硫代-2-萘基]偶氮]苯甲酸与2,2'-亚氨基双[乙醇]的 1:4 化合物

Tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid · CAS 72906-32-2

中文名: 4-[[1-羟基-6-[[[[5-羟基-6-[(2-甲基-4-磺苯基)偶氮]-7-硫代-2-萘基] 氨基]羰基]氨基]-3-硫代-2-萘基]偶氮]苯甲酸与2,2'-亚氨基双[乙醇]的 1:4 化合物
中文别名: 暂无
英文名: Tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
CAS: 72906-32-2
CID: 175249
IUPAC 名称: tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid

名称与编号

中文名: 4-[[1-羟基-6-[[[[5-羟基-6-[(2-甲基-4-磺苯基)偶氮]-7-硫代-2-萘基] 氨基]羰基]氨基]-3-硫代-2-萘基]偶氮]苯甲酸与2,2'-亚氨基双[乙醇]的 1:4 化合物
中文别名: 暂无
英文名: Tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
CAS: 72906-32-2
CID: 175249
IUPAC 名称: tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid

分子属性

分子式: C51H70N10O22S3
分子量: 1271.4 g/mol
精确质量: 1270.38282742 Da
单同位素质量: 1270.38282742 Da
XLogP: 暂无
极性表面积: 567 Å²
氢键供体: 20
氢键受体: 30
可旋转键: 26
重原子数: 86
净电荷: 0
结构复杂度: 1910

结构标识

InChIKey: HEABHVOKOJQEKZ-UHFFFAOYSA-N
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=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO
InChI: InChI=1S/C35H26N6O14S3.4C4H11NO2/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;4*6-3-1-5-2-4-7/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);4*5-7H,1-4H2