5-[[2,4-二羟基-5-[(4-苯氨基-3-磺 苯基)偶氮]苯基]偶氮]-4-羟基 -3-[(4-硝基苯基)偶氮]-2,7-萘二磺 酸三钠盐
Trisodium 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate · CAS 85631-82-9
- 中文名
- 5-[[2,4-二羟基-5-[(4-苯氨基-3-磺 苯基)偶氮]苯基]偶氮]-4-羟基 -3-[(4-硝基苯基)偶氮]-2,7-萘二磺 酸三钠盐
- 中文别名
- 暂无
- 英文名
- Trisodium 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate
- CAS
- 85631-82-9
- CID
- 135854078
- IUPAC 名称
- trisodium;5-[[5-[(4-anilino-3-sulfonatophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 5-[[2,4-二羟基-5-[(4-苯氨基-3-磺 苯基)偶氮]苯基]偶氮]-4-羟基 -3-[(4-硝基苯基)偶氮]-2,7-萘二磺 酸三钠盐
- 中文别名
- 暂无
- 英文名
- Trisodium 5-((2,4-dihydroxy-5-((4-(phenylamino)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate
- CAS
- 85631-82-9
- CID
- 135854078
- IUPAC 名称
- trisodium;5-[[5-[(4-anilino-3-sulfonatophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C34H21N8Na3O14S3
- 分子量
- 930.7 g/mol
- 精确质量
- 930.00324374 Da
- 单同位素质量
- 930.00324374 Da
- XLogP
- 暂无
- 极性表面积
- 389 Ų
- 氢键供体
- 4
- 氢键受体
- 21
- 可旋转键
- 8
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1830
结构标识
- InChIKey
- ACUCGXMQEHNUDP-UHFFFAOYSA-K
- SMILES
- C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC(=C(C=C3O)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C(=C5O)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C34H24N8O14S3.3Na/c43-28-17-29(44)26(16-25(28)38-37-21-8-11-24(30(14-21)58(51,52)53)35-19-4-2-1-3-5-19)39-40-27-15-23(57(48,49)50)12-18-13-31(59(54,55)56)33(34(45)32(18)27)41-36-20-6-9-22(10-7-20)42(46)47;;;/h1-17,35,43-45H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3