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Reference substances

Currently viewing:
IUPAC name:
Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium

Inventory

EC number:
286-689-0
EC name:
Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium
CAS number:
85338-16-5
CAS number:
85338-16-5
Synonyms
Names:
Identifier:
IUPAC name
Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium
Identifier:
IUPAC name
dicopper(2+) tetrasodium 5-({3-carboxy-4-[2-{5-[2-(2,4-disulfophenyl)diazen-1-yl]-4-hydroxy-2-oxidophenyl}diazen-1-yl]phenyl}methyl)-2-[2-{5-[2-(2,4-disulfophenyl)diazen-1-yl]-4-hydroxy-2-oxidophenyl}diazen-1-yl]benzoate
Identifier:
other: InChl
InChI=1S/C39H28N8O20S4.2Cu.4Na/c48-32-16-34(50)30(46-42-26-7-3-20(68(56,57)58)12-36(26)70(62,63)64)14-28(32)44-40-24-5-1-18(10-22(24)38(52)53)9-19-2-6-25(23(11-19)39(54)55)41-45-29-15-31(35(51)17-33(29)49)47-43-27-8-4-21(69(59,60)61)13-37(27)71(65,66)67;;;;;;/h1-8,10-17,48-51H,9H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8/b44-40-,45-41-,46-42+,47-43+;;;;;;
Identifier:
other: SMILES notation
[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1/N=N/c1cc(\N=N/c2ccc(Cc3ccc(\N=N/c4cc(/N=N/c5ccc(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc4[O-])c(c3)C([O-])=O)cc2C([O-])=O)c([O-])cc1O)S([O-])(=O)=O

Molecular and structural information

Molecular formula:
C39H20Cu2N8Na4O20S4
Molecular weight:
ca. 1 268
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8ccc(/N=N/c2cc3N=Nc1ccc(cc1C(=O)O[Cu]Oc3cc2O)Cc7cc5c(N=Nc6cc(/N=N/c4ccc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc6O[Cu]OC5=O)cc7)c(c8)S([O-])(=O)=O
InChl:
InChI=1S/C39H28N8O20S4.2Cu.4Na/c48-32-16-34(50)30(46-42-26-7-3-20(68(56,57)58)12-36(26)70(62,63)64)14-28(32)44-40-24-5-1-18(10-22(24)38(52)53)9-19-2-6-25(23(11-19)39(54)55)41-45-29-15-31(35(51)17-33(29)49)47-43-27-8-4-21(69(59,60)61)13-37(27)71(65,66)67;;;;;;/h1-8,10-17,48-51H,9H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8/b44-40+,45-41+,46-42+,47-43+;;;;;;
Structural formula:
Chemical structure

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