[μ-[3-[[5-[[2,4-二羟基-5-[(2-羟基-3-硝基-5-磺基苯基)偶氮]苯基]甲基]-2,4-二羟基苯基]偶氮]-2-羟基 -5-硝基苯磺酸根合(6-)]]二铁

Iron, [mu-[2-(hydroxy-kappaO)-3-[[5-[[2-hydroxy-4-(hydroxy-kappaO)-5-[[2-(hydroxy-kappaO)-3-nitro-5-sulfophenyl]azo-kappaN1]phenyl]methyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]azo-kappaN1]-5-nitrobenzenesulfonato(6-)]]di- · CAS 85392-59-2

中文名: [μ-[3-[[5-[[2,4-二羟基-5-[(2-羟基-3-硝基-5-磺基苯基)偶氮]苯基]甲基]-2,4-二羟基苯基]偶氮]-2-羟基 -5-硝基苯磺酸根合(6-)]]二铁
中文别名: 暂无
英文名: Iron, [mu-[2-(hydroxy-kappaO)-3-[[5-[[2-hydroxy-4-(hydroxy-kappaO)-5-[[2-(hydroxy-kappaO)-3-nitro-5-sulfophenyl]azo-kappaN1]phenyl]methyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]azo-kappaN1]-5-nitrobenzenesulfonato(6-)]]di-
CAS: 85392-59-2
CID: 135802254
IUPAC 名称: 3-[[2-hydroxy-5-[[4-hydroxy-5-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-2-oxidophenyl]methyl]-4-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate;bis(iron(3+))

名称与编号

中文名: [μ-[3-[[5-[[2,4-二羟基-5-[(2-羟基-3-硝基-5-磺基苯基)偶氮]苯基]甲基]-2,4-二羟基苯基]偶氮]-2-羟基 -5-硝基苯磺酸根合(6-)]]二铁
中文别名: 暂无
英文名: Iron, [mu-[2-(hydroxy-kappaO)-3-[[5-[[2-hydroxy-4-(hydroxy-kappaO)-5-[[2-(hydroxy-kappaO)-3-nitro-5-sulfophenyl]azo-kappaN1]phenyl]methyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]azo-kappaN1]-5-nitrobenzenesulfonato(6-)]]di-
CAS: 85392-59-2
CID: 135802254
IUPAC 名称: 3-[[2-hydroxy-5-[[4-hydroxy-5-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-2-oxidophenyl]methyl]-4-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate;bis(iron(3+))

分子属性

分子式: C25H12Fe2N6O16S2
分子量: 828.2 g/mol
精确质量: 827.844992 Da
单同位素质量: 827.844992 Da
XLogP: 暂无
极性表面积: 405 Å²
氢键供体: 2
氢键受体: 20
可旋转键: 6
重原子数: 51
净电荷: 0
结构复杂度: 1440

结构标识

InChIKey: CSKNPQXSHYOIEH-UHFFFAOYSA-H
SMILES: C1=C(C=C(C(=C1N=NC2=C(C=C(C(=C2)CC3=CC(=C(C=C3[O-])O)N=NC4=C(C(=CC(=C4)S(=O)(=O)[O-])[N+](=O)[O-])[O-])[O-])O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Fe+3].[Fe+3]
InChI: InChI=1S/C25H18N6O16S2.2Fe/c32-19-8-21(34)14(26-28-16-4-12(30(38)39)5-23(25(16)37)49(45,46)47)2-10(19)1-11-3-15(22(35)9-20(11)33)27-29-17-6-13(48(42,43)44)7-18(24(17)36)31(40)41;;/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47);;/q;2*+3/p-6