5-乙酰氨基-3-(5-{4-氯-6-[3-(2-砜基-乙磺酰基)-苯氨基]-[1,3,5]三嗪-2-基氨基}-2-磺基-苯基偶氮)-4-羟基-萘-2,7-二磺酸，三钠盐

Tetrasodium 5-acetamido-3-((5-((4-chloro-6-(3-((2-(sulfonatooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)-2-sulfonatophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonate · CAS 80019-35-8

中文名: 5-乙酰氨基-3-(5-{4-氯-6-[3-(2-砜基-乙磺酰基)-苯氨基]-[1,3,5]三嗪-2-基氨基}-2-磺基-苯基偶氮)-4-羟基-萘-2,7-二磺酸，三钠盐
中文别名: 暂无
英文名: Tetrasodium 5-acetamido-3-((5-((4-chloro-6-(3-((2-(sulfonatooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)-2-sulfonatophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonate
CAS: 80019-35-8
CID: 165363045
IUPAC 名称: tetrasodium;5-acetamido-3-[[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

名称与编号

中文名: 5-乙酰氨基-3-(5-{4-氯-6-[3-(2-砜基-乙磺酰基)-苯氨基]-[1,3,5]三嗪-2-基氨基}-2-磺基-苯基偶氮)-4-羟基-萘-2,7-二磺酸，三钠盐
中文别名: 暂无
英文名: Tetrasodium 5-acetamido-3-((5-((4-chloro-6-(3-((2-(sulfonatooxy)ethyl)sulfonyl)anilino)-1,3,5-triazin-2-yl)amino)-2-sulfonatophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonate
CAS: 80019-35-8
CID: 165363045
IUPAC 名称: tetrasodium;5-acetamido-3-[[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

分子属性

分子式: C29H21ClN8Na4O17S5
分子量: 1041.3 g/mol
精确质量: 1039.8907519 Da
单同位素质量: 1039.8907519 Da
XLogP: 暂无
极性表面积: 451 Å²
氢键供体: 4
氢键受体: 24
可旋转键: 11
重原子数: 64
净电荷: 0
结构复杂度: 2060

结构标识

InChIKey: WQFFAEQHXHRHTQ-UHFFFAOYSA-J
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C29H25ClN8O17S5.4Na/c1-14(39)31-21-13-19(57(43,44)45)9-15-10-23(59(49,50)51)25(26(40)24(15)21)38-37-20-12-17(5-6-22(20)58(46,47)48)33-29-35-27(30)34-28(36-29)32-16-3-2-4-18(11-16)56(41,42)8-7-55-60(52,53)54;;;;/h2-6,9-13,40H,7-8H2,1H3,(H,31,39)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,32,33,34,35,36);;;;/q;4*+1/p-4