[3-[[5-羟基-4-[1-羟基-6-(苯基氨基)-3-硫代-2-萘基]偶氮]-2-甲基苯基]偶氮]-1,5-萘二磺酸(5-)]合铜酸 (3-)三钾

Cuprate(3-), [3-[2-[5-(hydroxy-kappaO)-4-[2-[1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonato(5-)]-, potassium (1:3) · CAS 118716-59-9

中文名: [3-[[5-羟基-4-[1-羟基-6-(苯基氨基)-3-硫代-2-萘基]偶氮]-2-甲基苯基]偶氮]-1,5-萘二磺酸(5-)]合铜酸 (3-)三钾
中文别名: 暂无
英文名: Cuprate(3-), [3-[2-[5-(hydroxy-kappaO)-4-[2-[1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonato(5-)]-, potassium (1:3)
CAS: 118716-59-9
CID: 170841358
IUPAC 名称: copper;tripotassium;3-[[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]naphthalene-1,5-disulfonate

名称与编号

中文名: [3-[[5-羟基-4-[1-羟基-6-(苯基氨基)-3-硫代-2-萘基]偶氮]-2-甲基苯基]偶氮]-1,5-萘二磺酸(5-)]合铜酸 (3-)三钾
中文别名: 暂无
英文名: Cuprate(3-), [3-[2-[5-(hydroxy-kappaO)-4-[2-[1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-2-methylphenyl]diazenyl]-1,5-naphthalenedisulfonato(5-)]-, potassium (1:3)
CAS: 118716-59-9
CID: 170841358
IUPAC 名称: copper;tripotassium;3-[[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]naphthalene-1,5-disulfonate

分子属性

分子式: C33H20CuK3N5O11S3
分子量: 939.6 g/mol
精确质量: 937.852862 Da
单同位素质量: 937.852862 Da
XLogP: 暂无
极性表面积: 304 Å²
氢键供体: 1
氢键受体: 16
可旋转键: 6
重原子数: 56
净电荷: 0
结构复杂度: 1580

结构标识

InChIKey: VUXBIYYIEHVVGH-UHFFFAOYSA-I
SMILES: CC1=CC(=C(C=C1N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC4=CC=CC=C4)S(=O)(=O)[O-])[O-])N=NC5=CC6=C(C=CC=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-].[K+].[K+].[K+].[Cu+2]
InChI: InChI=1S/C33H25N5O11S3.Cu.3K/c1-18-12-27(37-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)28(39)17-26(18)36-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;+2;3*+1/p-5