[2-[[[[2-羟基-3-磺基-5-[[2-(磺基氧基)乙基]磺酰基]苯基]偶氮]苯基甲基]偶氮]-4-苯磺酸根合(6-)]-铜酸 (4-)四钠

Cuprate(4-), [2-[2-[[2-[2-(hydroxy-I masculineO)-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-I masculineN2]phenylmethyl]diazenyl-I masculineN1]-4-sulfobenzoato(6-)-I masculineO]-, sodium (1:4) · CAS 101678-62-0

中文名: [2-[[[[2-羟基-3-磺基-5-[[2-(磺基氧基)乙基]磺酰基]苯基]偶氮]苯基甲基]偶氮]-4-苯磺酸根合(6-)]-铜酸 (4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), [2-[2-[[2-[2-(hydroxy-I masculineO)-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-I masculineN2]phenylmethyl]diazenyl-I masculineN1]-4-sulfobenzoato(6-)-I masculineO]-, sodium (1:4)
CAS: 101678-62-0
CID: 177841957
IUPAC 名称: copper;tetrasodium;2-[[[[2-oxido-3-sulfonato-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-phenylmethyl]diazenyl]-4-sulfonatobenzoate

名称与编号

中文名: [2-[[[[2-羟基-3-磺基-5-[[2-(磺基氧基)乙基]磺酰基]苯基]偶氮]苯基甲基]偶氮]-4-苯磺酸根合(6-)]-铜酸 (4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), [2-[2-[[2-[2-(hydroxy-I masculineO)-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-I masculineN2]phenylmethyl]diazenyl-I masculineN1]-4-sulfobenzoato(6-)-I masculineO]-, sodium (1:4)
CAS: 101678-62-0
CID: 177841957
IUPAC 名称: copper;tetrasodium;2-[[[[2-oxido-3-sulfonato-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-phenylmethyl]diazenyl]-4-sulfonatobenzoate

分子属性

分子式: C22H14CuN4Na4O15S4
分子量: 858.1 g/mol
精确质量: 856.822525 Da
单同位素质量: 856.822525 Da
XLogP: 暂无
极性表面积: 361 Å²
氢键供体: 0
氢键受体: 20
可旋转键: 7
重原子数: 50
净电荷: 0
结构复杂度: 1480

结构标识

InChIKey: WQUPWGIERIIISC-UHFFFAOYSA-I
SMILES: C1=CC=C(C=C1)[C-](N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=O)[O-])N=NC3=C(C(=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
InChI: InChI=1S/C22H19N4O15S4.Cu.4Na/c27-20-18(11-15(12-19(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40)24-26-21(13-4-2-1-3-5-13)25-23-17-10-14(43(32,33)34)6-7-16(17)22(28)29;;;;;/h1-7,10-12,27H,8-9H2,(H,28,29)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;;/q-1;+2;4*+1/p-5