铜络合物，[4,5-二氢-4-[[8-(羟基)-7-[[2-(羟基)-5-甲氧基-4-[[2-(磺氧基)]乙基]磺酰基]苯基]偶氮]-6-磺基-2-萘基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸，四钠盐

Cuprate(4-), [4,5-dihydro-4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-6-sulfo-2-naphthalenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-)]-, tetrasodium · CAS 87140-43-0

中文名: 铜络合物，[4,5-二氢-4-[[8-(羟基)-7-[[2-(羟基)-5-甲氧基-4-[[2-(磺氧基)]乙基]磺酰基]苯基]偶氮]-6-磺基-2-萘基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸，四钠盐
中文别名: 暂无
英文名: Cuprate(4-), [4,5-dihydro-4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-6-sulfo-2-naphthalenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-)]-, tetrasodium
CAS: 87140-43-0
CID: 15539275
IUPAC 名称: copper;tetrasodium;4-[[7-[[5-methoxy-2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-8-oxido-6-sulfonatonaphthalen-2-yl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

名称与编号

中文名: 铜络合物，[4,5-二氢-4-[[8-(羟基)-7-[[2-(羟基)-5-甲氧基-4-[[2-(磺氧基)]乙基]磺酰基]苯基]偶氮]-6-磺基-2-萘基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸，四钠盐
中文别名: 暂无
英文名: Cuprate(4-), [4,5-dihydro-4-[[8-hydroxy-7-[[2-hydroxy-5-methoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-6-sulfo-2-naphthalenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-)]-, tetrasodium
CAS: 87140-43-0
CID: 15539275
IUPAC 名称: copper;tetrasodium;4-[[7-[[5-methoxy-2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-8-oxido-6-sulfonatonaphthalen-2-yl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

分子属性

分子式: C29H18CuN6Na4O18S4
分子量: 1022.3 g/mol
精确质量: 1020.844717 Da
单同位素质量: 1020.844717 Da
XLogP: 暂无
极性表面积: 426 Å²
氢键供体: 0
氢键受体: 23
可旋转键: 10
重原子数: 62
净电荷: 0
结构复杂度: 1990

结构标识

InChIKey: GBUYOWVEEGNJST-UHFFFAOYSA-H
SMILES: COC1=C(C=C(C(=C1)N=NC2=C(C=C3C=CC(=CC3=C2[O-])N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
InChI: InChI=1S/C29H24N6O18S4.Cu.4Na/c1-52-21-12-19(20(36)13-22(21)54(41,42)9-8-53-57(49,50)51)31-32-24-23(56(46,47)48)10-14-2-3-15(11-18(14)27(24)37)30-33-25-26(29(39)40)34-35(28(25)38)16-4-6-17(7-5-16)55(43,44)45;;;;;/h2-7,10-13,25,36-37H,8-9H2,1H3,(H,39,40)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;+2;4*+1/p-6