2,4-二氨基-3-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-[[2-磺基 -4-[[2-(磺氧基)乙基]磺酰基]苯基] 偶氮]苯磺酸钾钠

Benzenesulfonic acid, 2,4-diamino-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, potassium sodium salt (1:x:x) · CAS 187026-95-5

中文名: 2,4-二氨基-3-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-[[2-磺基 -4-[[2-(磺氧基)乙基]磺酰基]苯基] 偶氮]苯磺酸钾钠
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,4-diamino-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, potassium sodium salt (1:x:x)
CAS: 187026-95-5
CID: 165362604
IUPAC 名称: dipotassium;disodium;2,4-diamino-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate

名称与编号

中文名: 2,4-二氨基-3-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-[[2-磺基 -4-[[2-(磺氧基)乙基]磺酰基]苯基] 偶氮]苯磺酸钾钠
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,4-diamino-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, potassium sodium salt (1:x:x)
CAS: 187026-95-5
CID: 165362604
IUPAC 名称: dipotassium;disodium;2,4-diamino-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-[[2-sulfonato-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate

分子属性

分子式: C22H20K2N6Na2O18S6
分子量: 973 g/mol
精确质量: 971.8227864 Da
单同位素质量: 971.8227864 Da
XLogP: 暂无
极性表面积: 467 Å²
氢键供体: 2
氢键受体: 24
可旋转键: 12
重原子数: 56
净电荷: 0
结构复杂度: 1900

结构标识

InChIKey: WHNCPPZRBQNNEY-UHFFFAOYSA-J
SMILES: C1=CC(=CC=C1N=NC2=C(C(=CC(=C2N)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+].[K+]
InChI: InChI=1S/C22H24N6O18S6.2K.2Na/c23-20-17(27-26-16-6-5-15(11-18(16)49(33,34)35)48(31,32)10-8-46-52(42,43)44)12-19(50(36,37)38)21(24)22(20)28-25-13-1-3-14(4-2-13)47(29,30)9-7-45-51(39,40)41;;;;/h1-6,11-12H,7-10,23-24H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4