2-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[[3-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-羟基苯甲酰]氨基]苯甲酸一钠盐

benzoic acid, 2-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-5-((3-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzoyl)amino)-, monosodium salt · CAS 80435-40-1

中文名: 2-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[[3-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-羟基苯甲酰]氨基]苯甲酸一钠盐
中文别名: 暂无
英文名: benzoic acid, 2-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-5-((3-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzoyl)amino)-, monosodium salt
CAS: 80435-40-1
CID: 135666585
IUPAC 名称: sodium 2-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-[[3-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxybenzoyl]amino]benzoate

名称与编号

中文名: 2-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[[3-[[1-(4-氨基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-羟基苯甲酰]氨基]苯甲酸一钠盐
中文别名: 暂无
英文名: benzoic acid, 2-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-5-((3-((1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzoyl)amino)-, monosodium salt
CAS: 80435-40-1
CID: 135666585
IUPAC 名称: sodium 2-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-[[3-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxybenzoyl]amino]benzoate

分子属性

分子式: C34H28N11NaO6
分子量: 709.6 g/mol
精确质量: 709.21217194 Da
单同位素质量: 709.21217194 Da
XLogP: 暂无
极性表面积: 256 Å²
氢键供体: 4
氢键受体: 14
可旋转键: 9
重原子数: 52
净电荷: 0
结构复杂度: 1460

结构标识

InChIKey: QWSXZGZWNAIGNA-UHFFFAOYSA-M
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)O)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)N)C)C(=O)[O-])C6=CC=C(C=C6)N.[Na+]
InChI: InChI=1S/C34H29N11O6.Na/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24;/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51);/q;+1/p-1