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Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium

HCID 105352
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Basic information

CAS
66256-76-6
Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)c([O-])c4)cc3[O-])c([O-])c12.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIKey
UGYKEQSYYMENLI-UHFFFAOYSA-F
Molecular formula
C42H22Cu2N8Na4O17S4
Average molar mass
1,258 g/mol
Monoisotopic mass
1,255.816847

Names & identifiers

Preferred name
Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium
IUPAC
dicopper;tetrasodium;5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Names & synonyms

66256-76-6Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodiumEINECS 266-282-4DTXSID90904407UGYKEQSYYMENLI-UHFFFAOYSA-FCopper, (tetrahydrogen 1-hydroxy-2-((((2-hydroxy-3,6-disulfo-1-naphthenyl)azo)-3,3'-dihydroxy-4,4'-biphenylene)azo)-8-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-3,6-naphthalenedisulfonato-)di-, tetrasodium saltCuprate(4-), [.mu.-[5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-[[4'-[[3,6-disulfo-2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(8-)]]di-, tetrasodiumCopper(2+) sodium 3-[(Z)-{3,3'-dioxido-4'-[(E)-(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl]-5-[(Z)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate (2/4/1)Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, tetrasodiumCuprate(4-), (mu-(5-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-3-(2-(4'-(2-(3,6-disulfo-2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, sodium (1:4)

Database identifiers

CAS
66256-76-6
PubChem CID
105352
DTXSID
DTXSID90904407
EC Number
266-282-4

Properties

Computed structural properties

Topological polar surface area
461 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
24
Rotatable bonds
8
Heavy atoms
77
Formal charge
0
Complexity
2,470

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Cuprate(4-), [.mu.-[5-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-[2-[4'-[2-[3,6-disulfo-2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(8-)]]di-, sodium (1:4): ACTIVE

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