五氢化二[4-[[2,4-二羟基-5-[(2-甲氧基苯基)偶氮]-3-[(4-苯氨基-3-磺苯基)偶氮]苯基]偶氮]-3-羟基-7-硝基-1-萘磺酸根合(4-)]高铁酸(5-)

Ferrate(5-), bis[4-[[2,4-dihydroxy-5-[(2-methoxyphenyl)azo]-3-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato(4-)]-, pentahydrogen · CAS 72779-11-4

中文名: 五氢化二[4-[[2,4-二羟基-5-[(2-甲氧基苯基)偶氮]-3-[(4-苯氨基-3-磺苯基)偶氮]苯基]偶氮]-3-羟基-7-硝基-1-萘磺酸根合(4-)]高铁酸(5-)
中文别名: 暂无
英文名: Ferrate(5-), bis[4-[[2,4-dihydroxy-5-[(2-methoxyphenyl)azo]-3-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato(4-)]-, pentahydrogen
CAS: 72779-11-4
CID: 16721165
IUPAC 名称: bis(4-[[3-[(4-anilino-3-sulfonatophenyl)diazenyl]-4-hydroxy-5-[(2-methoxyphenyl)diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate);hydron;iron(3+)

名称与编号

中文名: 五氢化二[4-[[2,4-二羟基-5-[(2-甲氧基苯基)偶氮]-3-[(4-苯氨基-3-磺苯基)偶氮]苯基]偶氮]-3-羟基-7-硝基-1-萘磺酸根合(4-)]高铁酸(5-)
中文别名: 暂无
英文名: Ferrate(5-), bis[4-[[2,4-dihydroxy-5-[(2-methoxyphenyl)azo]-3-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato(4-)]-, pentahydrogen
CAS: 72779-11-4
CID: 16721165
IUPAC 名称: bis(4-[[3-[(4-anilino-3-sulfonatophenyl)diazenyl]-4-hydroxy-5-[(2-methoxyphenyl)diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate);hydron;iron(3+)

分子属性

分子式: C70H49FeN16O24S4
分子量: 1682.3 g/mol
精确质量: 1681.133782 Da
单同位素质量: 1681.133782 Da
XLogP: 暂无
极性表面积: 678 Å²
氢键供体: 9
氢键受体: 38
可旋转键: 18
重原子数: 115
净电荷: 0
结构复杂度: 1640

结构标识

InChIKey: ZKWKVBJICOELGT-UHFFFAOYSA-K
SMILES: [H+].[H+].[H+].[H+].[H+].COC1=CC=CC=C1N=NC2=CC(=C(C(=C2O)N=NC3=CC(=C(C=C3)NC4=CC=CC=C4)S(=O)(=O)[O-])[O-])N=NC5=C6C=CC(=CC6=C(C=C5[O-])S(=O)(=O)[O-])[N+](=O)[O-].COC1=CC=CC=C1N=NC2=CC(=C(C(=C2O)N=NC3=CC(=C(C=C3)NC4=CC=CC=C4)S(=O)(=O)[O-])[O-])N=NC5=C6C=CC(=CC6=C(C=C5[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Fe+3]
InChI: InChI=1S/2C35H26N8O12S2.Fe/c2*1-55-29-10-6-5-9-24(29)38-39-26-17-27(40-41-32-22-13-12-21(43(47)48)16-23(22)30(18-28(32)44)56(49,50)51)35(46)33(34(26)45)42-37-20-11-14-25(31(15-20)57(52,53)54)36-19-7-3-2-4-8-19;/h2*2-18,36,44-46H,1H3,(H,49,50,51)(H,52,53,54);/q;;+3/p-3