[μ-[5-[(4,5-二氢化-3-甲基-5-氧代 -1-苯基-1H-吡唑-4-基)偶氮]-3-[[4'-[(3,6-二磺基-2-羟基-1- 萘基)偶氮]-3,3'-二羟基(1,1'-二苯基)-4-基]偶氮]-4-羟基-2,7-萘二磺酸(8-)]]合二铜酸(4-)四钠

Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium · CAS 66256-76-6

中文名: [μ-[5-[(4,5-二氢化-3-甲基-5-氧代 -1-苯基-1H-吡唑-4-基)偶氮]-3-[[4'-[(3,6-二磺基-2-羟基-1- 萘基)偶氮]-3,3'-二羟基(1,1'-二苯基)-4-基]偶氮]-4-羟基-2,7-萘二磺酸(8-)]]合二铜酸(4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium
CAS: 66256-76-6
CID: 105352
IUPAC 名称: dicopper;tetrasodium;5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: [μ-[5-[(4,5-二氢化-3-甲基-5-氧代 -1-苯基-1H-吡唑-4-基)偶氮]-3-[[4'-[(3,6-二磺基-2-羟基-1- 萘基)偶氮]-3,3'-二羟基(1,1'-二苯基)-4-基]偶氮]-4-羟基-2,7-萘二磺酸(8-)]]合二铜酸(4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium
CAS: 66256-76-6
CID: 105352
IUPAC 名称: dicopper;tetrasodium;5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C42H22Cu2N8Na4O17S4
分子量: 1258 g/mol
精确质量: 1255.816847 Da
单同位素质量: 1255.816847 Da
XLogP: 暂无
极性表面积: 461 Å²
氢键供体: 0
氢键受体: 24
可旋转键: 8
重原子数: 77
净电荷: 0
结构复杂度: 2470

结构标识

InChIKey: UGYKEQSYYMENLI-UHFFFAOYSA-F
SMILES: CC1=NN(C(=O)C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C7C=CC(=CC7=CC(=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])C8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
InChI: InChI=1S/C42H30N8O17S4.2Cu.4Na/c1-20-37(42(55)50(49-20)25-5-3-2-4-6-25)46-45-31-19-27(69(59,60)61)14-24-18-34(70(62,63)64)39(41(54)36(24)31)48-44-30-12-8-22(16-33(30)52)21-7-11-29(32(51)15-21)43-47-38-28-10-9-26(68(56,57)58)13-23(28)17-35(40(38)53)71(65,66)67;;;;;;/h2-19,37,51-54H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8