4-氨基-5-羟基-6-[[3-[[[2-[[2-(磺基氧基)乙基]磺酰基]乙基]氨基]碳酰]苯基]偶氮]-3-[[4-[[2-(磺基氧基)乙基]磺酰]苯基]偶氮]-2,7-萘二磺酸四钠

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-(2-(3-(((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)phenyl)diazenyl)-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:4) · CAS 116889-78-2

中文名: 4-氨基-5-羟基-6-[[3-[[[2-[[2-(磺基氧基)乙基]磺酰基]乙基]氨基]碳酰]苯基]偶氮]-3-[[4-[[2-(磺基氧基)乙基]磺酰]苯基]偶氮]-2,7-萘二磺酸四钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-(2-(3-(((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)phenyl)diazenyl)-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:4)
CAS: 116889-78-2
CID: 154734647
IUPAC 名称: tetrasodium;5-amino-4-hydroxy-3-[[3-[2-(2-sulfonatooxyethylsulfonyl)ethylcarbamoyl]phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 4-氨基-5-羟基-6-[[3-[[[2-[[2-(磺基氧基)乙基]磺酰基]乙基]氨基]碳酰]苯基]偶氮]-3-[[4-[[2-(磺基氧基)乙基]磺酰]苯基]偶氮]-2,7-萘二磺酸四钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-(2-(3-(((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)phenyl)diazenyl)-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:4)
CAS: 116889-78-2
CID: 154734647
IUPAC 名称: tetrasodium;5-amino-4-hydroxy-3-[[3-[2-(2-sulfonatooxyethylsulfonyl)ethylcarbamoyl]phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C29H26N6Na4O20S6
分子量: 1062.9 g/mol
精确质量: 1061.9116914 Da
单同位素质量: 1061.9116914 Da
XLogP: 暂无
极性表面积: 491 Å²
氢键供体: 3
氢键受体: 25
可旋转键: 15
重原子数: 65
净电荷: 0
结构复杂度: 2200

结构标识

InChIKey: NXNAVTHKOUIHEM-UHFFFAOYSA-J
SMILES: C1=CC(=CC(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C29H30N6O20S6.4Na/c30-25-24-18(15-22(58(42,43)44)26(25)34-32-19-4-6-21(7-5-19)57(40,41)13-10-55-61(51,52)53)16-23(59(45,46)47)27(28(24)36)35-33-20-3-1-2-17(14-20)29(37)31-8-11-56(38,39)12-9-54-60(48,49)50;;;;/h1-7,14-16,36H,8-13,30H2,(H,31,37)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4