3-[[1-羟基-6-[[[[4-[(8-羟基-3,6- 二磺基-1-萘基)偶氮]-2-甲氧基-5-甲基苯基]氨基]羰基]氨基]-3-磺基-2- 萘基]偶氮]-4-甲氧基-苯甲酸四钠盐

Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4) · CAS 71873-47-7

中文名: 3-[[1-羟基-6-[[[[4-[(8-羟基-3,6- 二磺基-1-萘基)偶氮]-2-甲氧基-5-甲基苯基]氨基]羰基]氨基]-3-磺基-2- 萘基]偶氮]-4-甲氧基-苯甲酸四钠盐
中文别名: 暂无
英文名: Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)
CAS: 71873-47-7
CID: 166205
IUPAC 名称: tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate

名称与编号

中文名: 3-[[1-羟基-6-[[[[4-[(8-羟基-3,6- 二磺基-1-萘基)偶氮]-2-甲氧基-5-甲基苯基]氨基]羰基]氨基]-3-磺基-2- 萘基]偶氮]-4-甲氧基-苯甲酸四钠盐
中文别名: 暂无
英文名: Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4)
CAS: 71873-47-7
CID: 166205
IUPAC 名称: tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate

分子属性

分子式: C37H26N6Na4O16S3
分子量: 998.8 g/mol
精确质量: 998.0158194 Da
单同位素质量: 998.0158194 Da
XLogP: 暂无
极性表面积: 386 Å²
氢键供体: 4
氢键受体: 20
可旋转键: 8
重原子数: 66
净电荷: 0
结构复杂度: 1950

结构标识

InChIKey: AGVQRJZBHGGNJE-UHFFFAOYSA-J
SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=C(C=CC(=C6)C(=O)[O-])OC)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C37H30N6O16S3.4Na/c1-17-8-26(31(59-3)16-25(17)40-42-28-14-22(60(49,50)51)10-20-11-23(61(52,53)54)15-29(44)33(20)28)39-37(48)38-21-5-6-24-19(9-21)13-32(62(55,56)57)34(35(24)45)43-41-27-12-18(36(46)47)4-7-30(27)58-2;;;;/h4-16,44-45H,1-3H3,(H,46,47)(H2,38,39,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4