4'-[(1-羟基-4-磺基-2-萘基)偶 氮]-5,6'-二甲基-4-[[4-[(苯磺酰) 氧]苯基]偶氮]-[1,1'-联苯基]-2,2'- 二磺酸三钠盐
[1,1a(2)-Biphenyl]-2,2a(2)-disulfonic acid, 4-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5a(2)-dimethyl-4a(2)-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:3) · CAS 159317-41-6
- 中文名
- 4'-[(1-羟基-4-磺基-2-萘基)偶 氮]-5,6'-二甲基-4-[[4-[(苯磺酰) 氧]苯基]偶氮]-[1,1'-联苯基]-2,2'- 二磺酸三钠盐
- 中文别名
- 暂无
- 英文名
- [1,1a(2)-Biphenyl]-2,2a(2)-disulfonic acid, 4-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5a(2)-dimethyl-4a(2)-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:3)
- CAS
- 159317-41-6
- CID
- 165360335
- IUPAC 名称
- trisodium bis(3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-5-methyl-2-sulfonatophenyl]-2-methyl-5-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonate)
名称与编号
- 中文名
- 4'-[(1-羟基-4-磺基-2-萘基)偶 氮]-5,6'-二甲基-4-[[4-[(苯磺酰) 氧]苯基]偶氮]-[1,1'-联苯基]-2,2'- 二磺酸三钠盐
- 中文别名
- 暂无
- 英文名
- [1,1a(2)-Biphenyl]-2,2a(2)-disulfonic acid, 4-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5a(2)-dimethyl-4a(2)-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-, sodium salt (1:3)
- CAS
- 159317-41-6
- CID
- 165360335
- IUPAC 名称
- trisodium bis(3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-5-methyl-2-sulfonatophenyl]-2-methyl-5-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonate)
分子属性
- 分子式
- C72H50N8Na3O26S8-3
- 分子量
- 1768.7 g/mol
- 精确质量
- 1767.029501 Da
- 单同位素质量
- 1767.029501 Da
- XLogP
- 暂无
- 极性表面积
- 636 Ų
- 氢键供体
- 2
- 氢键受体
- 34
- 可旋转键
- 16
- 重原子数
- 117
- 净电荷
- -3
- 结构复杂度
- 1840
结构标识
- InChIKey
- SVDPKVSPJOVLGG-UHFFFAOYSA-H
- SMILES
- CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)[O-])C4=C(C=C(C(=C4)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-].CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)[O-])C4=C(C=C(C(=C4)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/2C36H28N4O13S4.3Na/c2*1-21-16-28(34(55(45,46)47)18-30(21)38-37-23-12-14-24(15-13-23)53-57(51,52)25-8-4-3-5-9-25)29-17-22(2)31(19-35(29)56(48,49)50)39-40-32-20-33(54(42,43)44)26-10-6-7-11-27(26)36(32)41;;;/h2*3-20,41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;;3*+1/p-6