双[4-[4-[[4-[[[3-[[4,5-二氢-3-甲基-5-氧代-1-(4-磺酸基苯基)-1H-吡唑-4-基]偶氮]-4-羟基苯基]磺酰基] 氨基]苯基]偶氮]-4,5-二氢-3-甲基 -5-氧代-1H-1-吡唑基]苯磺酸根(4-)] 合钴(III)酸五钠

Cobaltate(5-), bis[4-[4-[[4-[[[3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, pentasodium · CAS 75214-71-0

中文名: 双[4-[4-[[4-[[[3-[[4,5-二氢-3-甲基-5-氧代-1-(4-磺酸基苯基)-1H-吡唑-4-基]偶氮]-4-羟基苯基]磺酰基] 氨基]苯基]偶氮]-4,5-二氢-3-甲基 -5-氧代-1H-1-吡唑基]苯磺酸根(4-)] 合钴(III)酸五钠
中文别名: 暂无
英文名: Cobaltate(5-), bis[4-[4-[[4-[[[3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, pentasodium
CAS: 75214-71-0
CID: 126843411
IUPAC 名称: pentasodium;cobalt;bis(4-[4-[[4-[[4-hydroxy-3-[[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-id-4-yl]diazenyl]phenyl]sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid)

名称与编号

中文名: 双[4-[4-[[4-[[[3-[[4,5-二氢-3-甲基-5-氧代-1-(4-磺酸基苯基)-1H-吡唑-4-基]偶氮]-4-羟基苯基]磺酰基] 氨基]苯基]偶氮]-4,5-二氢-3-甲基 -5-氧代-1H-1-吡唑基]苯磺酸根(4-)] 合钴(III)酸五钠
中文别名: 暂无
英文名: Cobaltate(5-), bis[4-[4-[[4-[[[3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, pentasodium
CAS: 75214-71-0
CID: 126843411
IUPAC 名称: pentasodium;cobalt;bis(4-[4-[[4-[[4-hydroxy-3-[[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-id-4-yl]diazenyl]phenyl]sulfonylamino]phenyl]diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid)

分子属性

分子式: C64H50CoN18Na5O22S6+
分子量: 1789.5 g/mol
精确质量: 1788.049172 Da
单同位素质量: 1788.049172 Da
XLogP: 暂无
极性表面积: 630 Å²
氢键供体: 8
氢键受体: 40
可旋转键: 0
重原子数: 116
净电荷: 1
结构复杂度: 4090

结构标识

InChIKey: AMCHMVKTBSKJFK-UHFFFAOYSA-N
SMILES: CC1=NN(C(=O)[C-]1N=NC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)N=N[C-]4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O.CC1=NN(C(=O)[C-]1N=NC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)N=N[C-]4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Co]
InChI: InChI=1S/2C32H25N9O11S3.Co.5Na/c2*1-18-29(31(43)40(37-18)22-7-11-24(12-8-22)54(47,48)49)35-33-20-3-5-21(6-4-20)39-53(45,46)26-15-16-28(42)27(17-26)34-36-30-19(2)38-41(32(30)44)23-9-13-25(14-10-23)55(50,51)52;;;;;;/h2*3-17,39,42H,1-2H3,(H,47,48,49)(H,50,51,52);;;;;;/q2*-2;;5*+1