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General information

Inventory

EC number:
235-414-2
EC name:
Tetrasodium [μ-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)
CAS number:
12222-00-3

No inventory information available

Reference substance information

IUPAC name:
Tetrasodium [mu-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)

CAS information

CAS number:
12222-00-3

Molecular and structural information

Molecular formula:
C32H14Cu2N4O16S4.4Na
Molecular weight:
ca. 1 057.782
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2ccc3c1N=Nc4ccc(cc4O[Cu]Oc1c(cc3c2)S([O-])(=O)=O)c5ccc6N=Nc7c(O[Cu]Oc6c5)c(cc8cc(ccc78)S([O-])(=O)=O)S([O-])(=O)=O
InChl:
InChI=1/C32H22N4O16S4.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;
Structural formula:
Chemical structure