C.I.直接蓝270

2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4'-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:3) · CAS 73287-56-6

中文名: C.I.直接蓝270
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4'-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:3)
CAS: 73287-56-6
CID: 175440
IUPAC 名称: trisodium;5-amino-3-[[4-[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

名称与编号

中文名: C.I.直接蓝270
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4'-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:3)
CAS: 73287-56-6
CID: 175440
IUPAC 名称: trisodium;5-amino-3-[[4-[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

分子属性

分子式: C34H25N6Na3O13S3
分子量: 890.8 g/mol
精确质量: 890.03348124 Da
单同位素质量: 890.03348124 Da
XLogP: 暂无
极性表面积: 357 Å²
氢键供体: 4
氢键受体: 19
可旋转键: 7
重原子数: 59
净电荷: 0
结构复杂度: 1720

结构标识

InChIKey: DURNEGVWCIRANQ-UHFFFAOYSA-K
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)[O-])OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+]
InChI: InChI=1S/C34H28N6O13S3.3Na/c1-52-26-11-16(3-7-24(26)37-39-31-28(55(46,47)48)13-18-9-20(35)5-6-22(18)33(31)41)17-4-8-25(27(12-17)53-2)38-40-32-29(56(49,50)51)14-19-10-21(54(43,44)45)15-23(36)30(19)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3