4-氨基-3-[[4'-[(2,4-二氨基苯基)偶氮]-3,3'-二甲基-[1,1'-联苯]-4-基] 偶氮]-5-羟基-6-[(4-磺基苯基)偶氮]-2,7-萘二磺酸三钠盐

2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4'-[2-(2,4-diaminophenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3) · CAS 72906-45-7

中文名: 4-氨基-3-[[4'-[(2,4-二氨基苯基)偶氮]-3,3'-二甲基-[1,1'-联苯]-4-基] 偶氮]-5-羟基-6-[(4-磺基苯基)偶氮]-2,7-萘二磺酸三钠盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4'-[2-(2,4-diaminophenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS: 72906-45-7
CID: 135853747
IUPAC 名称: trisodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 4-氨基-3-[[4'-[(2,4-二氨基苯基)偶氮]-3,3'-二甲基-[1,1'-联苯]-4-基] 偶氮]-5-羟基-6-[(4-磺基苯基)偶氮]-2,7-萘二磺酸三钠盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4'-[2-(2,4-diaminophenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS: 72906-45-7
CID: 135853747
IUPAC 名称: trisodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C36H28N9Na3O10S3
分子量: 911.8 g/mol
精确质量: 911.08143449 Da
单同位素质量: 911.08143449 Da
XLogP: 暂无
极性表面积: 369 Å²
氢键供体: 4
氢键受体: 19
可旋转键: 7
重原子数: 61
净电荷: 0
结构复杂度: 1790

结构标识

InChIKey: CGYNYPLWYJDIFI-UHFFFAOYSA-K
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C(=C(C4=C3N)O)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+].[Na+]
InChI: InChI=1S/C36H31N9O10S3.3Na/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49;;;/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3