双[4-[4-[[4-[4-[[5-(氨基磺酰基)-2-羟基苯基]偶氮]-4,5-二氢-3- 甲基-5-氧代-1H-吡唑-1-基]苯基]偶氮]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]苯磺酸]合钴(III)酸三钠

Cobaltate(3-), bis[4-[4-[[4-[4-[[5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl]azo-kappaN1]-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium · CAS 75214-72-1

中文名: 双[4-[4-[[4-[4-[[5-(氨基磺酰基)-2-羟基苯基]偶氮]-4,5-二氢-3- 甲基-5-氧代-1H-吡唑-1-基]苯基]偶氮]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]苯磺酸]合钴(III)酸三钠
中文别名: 暂无
英文名: Cobaltate(3-), bis[4-[4-[[4-[4-[[5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl]azo-kappaN1]-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium
CAS: 75214-72-1
CID: 154734716
IUPAC 名称: trisodium;cobalt(3+);bis(4-[3-methyl-4-[[4-[3-methyl-4-[(2-oxido-4-sulfamoylphenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate)

名称与编号

中文名: 双[4-[4-[[4-[4-[[5-(氨基磺酰基)-2-羟基苯基]偶氮]-4,5-二氢-3- 甲基-5-氧代-1H-吡唑-1-基]苯基]偶氮]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]苯磺酸]合钴(III)酸三钠
中文别名: 暂无
英文名: Cobaltate(3-), bis[4-[4-[[4-[4-[[5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl]azo-kappaN1]-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium
CAS: 75214-72-1
CID: 154734716
IUPAC 名称: trisodium;cobalt(3+);bis(4-[3-methyl-4-[[4-[3-methyl-4-[(2-oxido-4-sulfamoylphenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate)

分子属性

分子式: C52H40CoN18Na3O16S4
分子量: 1429.2 g/mol
精确质量: 1428.077753 Da
单同位素质量: 1428.077753 Da
XLogP: 暂无
极性表面积: 560 Å²
氢键供体: 2
氢键受体: 30
可旋转键: 14
重原子数: 94
净电荷: 0
结构复杂度: 1370

结构标识

InChIKey: RXZUQOYDFBJXCF-UHFFFAOYSA-H
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)N)[O-])C3=CC=C(C=C3)N=NC4=C(N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])[O-].CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)N)[O-])C3=CC=C(C=C3)N=NC4=C(N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Co+3]
InChI: InChI=1S/2C26H23N9O8S2.Co.3Na/c2*1-14-23(25(37)35(32-14)18-7-9-19(10-8-18)45(41,42)43)30-28-16-3-5-17(6-4-16)34-26(38)24(15(2)33-34)31-29-21-12-11-20(13-22(21)36)44(27,39)40;;;;/h2*3-13,24,36-37H,1-2H3,(H2,27,39,40)(H,41,42,43);;;;/q;;+3;3*+1/p-6