基本情報
- CAS
57036-53-0- 標準SMILES
Nc1cc(O)ccc1N=Nc1ccc(NC(=O)c2ccc(N=Nc3c(O)ccc(N=Nc4cc(S(=O)(=O)[O-])ccc4[O-])c3[O-])cc2)cc1.[Cu+2].[H+]- InChIKey
AAZBDVXFHDCBDC-UHFFFAOYSA-L- 分子式
- C31H22CuN8O8S
- 平均分子量
- 730.2 g/mol
- 単同位体質量
- 729.057728
名称と識別子
- 優先名称
- Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonato(3-)]-, hydrogen (1:1)
- IUPAC
- copper;3-[[3-[[4-[[4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate;hydron
名称と別名
DTXSID001341287Cuprate(1-), (3-(2-(3-(2-(4-(((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogen (1:1)Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, hydrogen (1:1)Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonato(3-)]-, hydrogen (1:1)RefChem:579596DTXCID60177022457036-53-0EINECS 260-527-9Cuprate(1-), (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-(hydroxy-kappaO)-4-hydroxyphenyl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogenCopper, (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonato(2-))-Hydrogen (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonato(3-))cuprate(1-)
物性
構造計算による物性
- 極性表面積
- 281 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 15
- 回転可能結合数
- 6
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,240
化学と産業
用途と製造
General Manufacturing InformationCuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, hydrogen (1:1): INACTIVE
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