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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-)
Synonyms
Names:
Cuprate(4-), [.mu.-[[4,4'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(azo-.kappa.N1)]bis[3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium
Cuprate(4-), [?-[[4,4'-[(3,3'-dihydroxy[ 1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy -2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium
Identifier:
CAS number
12222-00-3
Identifier:
IUPAC name
dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Identifier:
IUPAC name
tetrasodium 4,4'-[(3,3'-dihydroxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-hydroxynaphthalene-2,7-disulfonate)
Identifier:
other: SMILES notation
C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
Identifier:
other: InChl
InChI=1/C32H22N4O16S4.4Na/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;4*+1/p-4/rC32H18N4Na4O16S4/c37-53-57(45,46)19-3-5-21-17(9-19)13-27(59(49,50)55-39)31(43)29(21)35-33-23-7-1-15(11-25(23)41)16-2-8-24(26(42)12-16)34-36-30-22-6-4-20(58(47,48)54-38)10-18(22)14-28(32(30)44)60(51,52)56-40/h1-14,41-44H
Identifier:
other: InChl
InChI=1S/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
Identifier:
other: SMILES notation
Oc1cc(ccc1N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c4ccc(N=Nc5c(O)c(cc6cc(ccc56)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O)c4

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