C. I. 直接黑166

2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2) · CAS 57131-19-8

中文名: C. I. 直接黑166
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
CAS: 57131-19-8
CID: 135853676
IUPAC 名称: disodium;4-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate

名称与编号

中文名: C. I. 直接黑166
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
CAS: 57131-19-8
CID: 135853676
IUPAC 名称: disodium;4-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate

分子属性

分子式: C35H26N10Na2O8S2
分子量: 824.8 g/mol
精确质量: 824.11718874 Da
单同位素质量: 824.11718874 Da
XLogP: 暂无
极性表面积: 333 Å²
氢键供体: 5
氢键受体: 17
可旋转键: 8
重原子数: 57
净电荷: 0
结构复杂度: 1580

结构标识

InChIKey: HADJHXHBAFQEAO-UHFFFAOYSA-L
SMILES: C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]
InChI: InChI=1S/C35H28N10O8S2.2Na/c36-21-8-15-27(26(37)18-21)43-40-25-13-11-22(12-14-25)39-35(47)19-6-9-24(10-7-19)42-44-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)38)45-41-23-4-2-1-3-5-23;;/h1-18,46H,36-38H2,(H,39,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2