3-[(2-氯-4-硝基苯基)偶氮]-4-羟基 -5-[[2-二羟基-4-[[3-羟基 -4-[[4-[(4-硝基-2-磺苯基)氨基]苯基]偶氮]苯基]氨基]苯基]偶氮]-2,7- 萘二磺酸三钠盐

Trisodium 3-((2-chloro-4-nitrophenyl)azo)-4-hydroxy-5-((2-hydroxy-4-((3-hydroxy-4-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)phenyl)azo)naphthalene-2,7-disulphonate · CAS 85631-89-6

中文名: 3-[(2-氯-4-硝基苯基)偶氮]-4-羟基 -5-[[2-二羟基-4-[[3-羟基 -4-[[4-[(4-硝基-2-磺苯基)氨基]苯基]偶氮]苯基]氨基]苯基]偶氮]-2,7- 萘二磺酸三钠盐
中文别名: 暂无
英文名: Trisodium 3-((2-chloro-4-nitrophenyl)azo)-4-hydroxy-5-((2-hydroxy-4-((3-hydroxy-4-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)phenyl)azo)naphthalene-2,7-disulphonate
CAS: 85631-89-6
CID: 16132039
IUPAC 名称: trisodium;3-[(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[[2-hydroxy-4-[3-hydroxy-4-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]anilino]phenyl]diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 3-[(2-氯-4-硝基苯基)偶氮]-4-羟基 -5-[[2-二羟基-4-[[3-羟基 -4-[[4-[(4-硝基-2-磺苯基)氨基]苯基]偶氮]苯基]氨基]苯基]偶氮]-2,7- 萘二磺酸三钠盐
中文别名: 暂无
英文名: Trisodium 3-((2-chloro-4-nitrophenyl)azo)-4-hydroxy-5-((2-hydroxy-4-((3-hydroxy-4-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)phenyl)azo)naphthalene-2,7-disulphonate
CAS: 85631-89-6
CID: 16132039
IUPAC 名称: trisodium;3-[(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[[2-hydroxy-4-[3-hydroxy-4-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]anilino]phenyl]diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C40H24ClN10Na3O16S3
分子量: 1101.3 g/mol
精确质量: 1099.9915488 Da
单同位素质量: 1099.9915488 Da
XLogP: 暂无
极性表面积: 447 Å²
氢键供体: 5
氢键受体: 24
可旋转键: 10
重原子数: 73
净电荷: 0
结构复杂度: 2210

结构标识

InChIKey: WPZDJLVYSZUKCT-UHFFFAOYSA-K
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)NC4=CC(=C(C=C4)N=NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=C(C=C(C=C7)[N+](=O)[O-])Cl)S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+]
InChI: InChI=1S/C40H27ClN10O16S3.3Na/c41-28-17-25(50(55)56)7-11-29(28)45-49-39-37(70(65,66)67)14-20-13-27(68(59,60)61)19-33(38(20)40(39)54)48-47-31-10-6-24(16-35(31)53)42-23-5-9-30(34(52)15-23)46-44-22-3-1-21(2-4-22)43-32-12-8-26(51(57)58)18-36(32)69(62,63)64;;;/h1-19,42-43,52-54H,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3