4-[[4-氯-6-[(2-甲基-4-磺苯基)氨基]-1,3,5-三嗪-2-基]氨基]-2-[[1-(2,5-二氯-4-磺苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]苯磺酸三钠盐

Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt · CAS 72829-26-6

中文名: 4-[[4-氯-6-[(2-甲基-4-磺苯基)氨基]-1,3,5-三嗪-2-基]氨基]-2-[[1-(2,5-二氯-4-磺苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]苯磺酸三钠盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt
CAS: 72829-26-6
CID: 175198
IUPAC 名称: trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

名称与编号

中文名: 4-[[4-氯-6-[(2-甲基-4-磺苯基)氨基]-1,3,5-三嗪-2-基]氨基]-2-[[1-(2,5-二氯-4-磺苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]苯磺酸三钠盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt
CAS: 72829-26-6
CID: 175198
IUPAC 名称: trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate

分子属性

分子式: C26H17Cl3N9Na3O10S3
分子量: 887 g/mol
精确质量: 884.901917 Da
单同位素质量: 884.901917 Da
XLogP: 暂无
极性表面积: 317 Å²
氢键供体: 2
氢键受体: 18
可旋转键: 7
重原子数: 54
净电荷: 0
结构复杂度: 1640

结构标识

InChIKey: NMXIYULPLGQHTR-UHFFFAOYSA-K
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4C(=NN(C4=O)C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl)C)Cl.[Na+].[Na+].[Na+]
InChI: InChI=1S/C26H20Cl3N9O10S3.3Na/c1-11-7-14(49(40,41)42)4-5-17(11)31-26-33-24(29)32-25(34-26)30-13-3-6-20(50(43,44)45)18(8-13)35-36-22-12(2)37-38(23(22)39)19-9-16(28)21(10-15(19)27)51(46,47)48;;;/h3-10,22H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,30,31,32,33,34);;;/q;3*+1/p-3