C.I.酸性红145

(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:3) · CAS 6598-62-5

中文名: C.I.酸性红145
中文别名: 暂无
英文名: (1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:3)
CAS: 6598-62-5
CID: 81071
IUPAC 名称: trisodium;4-hydroxy-3-[[2-methyl-4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-2-sulfonatophenyl]-5-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate

名称与编号

中文名: C.I.酸性红145
中文别名: 暂无
英文名: (1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:3)
CAS: 6598-62-5
CID: 81071
IUPAC 名称: trisodium;4-hydroxy-3-[[2-methyl-4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-2-sulfonatophenyl]-5-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate

分子属性

分子式: C37H27N4Na3O13S4
分子量: 932.9 g/mol
精确质量: 932.01505447 Da
单同位素质量: 932.01505447 Da
XLogP: 暂无
极性表面积: 318 Å²
氢键供体: 1
氢键受体: 17
可旋转键: 8
重原子数: 61
净电荷: 0
结构复杂度: 1870

结构标识

InChIKey: VIIUOXGZDWUVCX-UHFFFAOYSA-K
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC(=C(C=C3C)C4=C(C=C(C(=C4)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/C37H30N4O13S4.3Na/c1-21-8-14-26(15-9-21)58(52,53)54-25-12-10-24(11-13-25)38-39-31-18-35(56(46,47)48)29(16-22(31)2)30-17-23(3)32(19-36(30)57(49,50)51)40-41-33-20-34(55(43,44)45)27-6-4-5-7-28(27)37(33)42;;;/h4-20,42H,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3