基本情報
- CAS
68133-81-3- 標準SMILES
Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3c(S(=O)(=O)[O-])c(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)[O-])ccc5C)n4)ccc3c2[O-])c([O-])cc1N=Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-].[Cu+2].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
YZGNUTDCYXAXTG-UHFFFAOYSA-G- 分子式
- C33H19ClCuN9Na5O17S5
- 平均分子量
- 1,187.8 g/mol
- 単同位体質量
- 1,185.797542
名称と識別子
- 優先名称
- Cuprate(5-), [2-[2-[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[2-[4-[(2,5-disulfophenyl)diazenyl]-2-(hydroxy-kappaO)-5-methylphenyl]diazenyl-kappaN1]-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-)]-, sodium (1:5)
- IUPAC
- copper;pentasodium;2-[[4-chloro-6-(2-methyl-5-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfonatophenyl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]-5-oxidonaphthalene-1,7-disulfonate
名称と別名
Cuprate(5-), (2-(2-(4-chloro-6-((2-methyl-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-((2,5-disulfophenyl)diazenyl)-2-(hydroxy-kappaO)-5-methylphenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-))-, sodium (1:5)DTXSID401341265Cuprate(5-), [2-[2-[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[2-[4-[(2,5-disulfophenyl)diazenyl]-2-(hydroxy-kappaO)-5-methylphenyl]diazenyl-kappaN1]-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-)]-, sodium (1:5)Cuprate(5-), [2-[2-[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[2-[4-[(2,5-disulfophenyl)diazenyl]-2-(hydroxy-.kappa.O)-5-methylphenyl]diazenyl-.kappa.N1]-5-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(7-)]-, sodium (1:5)RefChem:579998DTXCID80177041868133-81-3EINECS 268-707-9Cuprate(5-), (2-((4-chloro-6-((2-methyl-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-6-((4-((2,5-disulfophenyl)azo)-2-(hydroxy-kappaO)-5-methylphenyl)azo-kappaN1)-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-))-, pentasodiumCuprate(5-), [2-[[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfophenyl)azo]-2-(hydroxy-.kappa.O)-5-methylphenyl]azo-.kappa.N1]-5-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(7-)]-, pentasodium
物性
構造計算による物性
- 極性表面積
- 486 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 26
- 回転可能結合数
- 8
- 重原子数
- 71
- 形式電荷
- 0
- 複雑度
- 2,240
化学と産業
用途と製造
General Manufacturing Information
Cuprate(5-), [2-[2-[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[2-[4-[(2,5-disulfophenyl)diazenyl]-2-(hydroxy-.kappa.O)-5-methylphenyl]diazenyl-.kappa.N1]-5-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(7-)]-, sodium (1:5): INACTIVE
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