RefChem:579978 structure

RefChem:579978

dicopper;tetrasodium;3-[[4-[4-[(8-acetamido-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-amino-4-oxidonaphthalene-2,7-disulfonate

Also Known As: EINECS 267-926-7|Cuprate(4-), (mu-(5-(acetylamino)-3-(2-(4'-(2-(8-amino-1-(hydroxy-kappaO)-3,6-disulfo-2-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)|copper(2+) sodium 5-(acetylamino)-3-[(e)-{4'-[(e)-(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3,3'-dioxidobiphenyl-4-yl}diazenyl]-4-oxidonaphthalene-2,7-disulfonate(2:4:1)|Cuprate(4-), (mu-(5-(acetylamino)-3-((4'-((8-amino-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium|Cuprate(4-), (mu-(5-(acetylamino)-3-((4'-((8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium|Cuprate(4-), [.mu.-[5-(acetylamino)-3-[2-[4'-[2-[8-amino-1-(hydroxy-.kappa.O)-3,6-disulfo-2-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)|Cuprate(4-), [mu-[5-(acetylamino)-3-[2-[4'-[2-[8-amino-1-(hydroxy-kappaO)-3,6-disulfo-2-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)|dicopper tetrasodium 3-[[4-[4-[(8-acetamido-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-amino-4-oxidonaphthalene-2,7-disulfonate|Tetrasodium (mu-(5-acetamido-3-((4'-((8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonato(8-)))dicuprate(4-)

CAS: 67952-80-1
Molecular Formula C34H18Cu2N6Na4O17S4
Molecular Weight 1127.7794 g/mol
LogP -10.05
Topological Polar Surface Area 425.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 22
Rotatable Bonds 10
Exact Mass 1127.7794
Heavy Atoms 67
Complexity 3466.3

Chemical Identifiers

CAS Number 67952-80-1
SMILES CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Product Overview

RefChem:579978 (CAS 67952-80-1), with molecular formula C34H18Cu2N6Na4O17S4 and molecular weight 1127.7794 g/mol. IUPAC: dicopper;tetrasodium;3-[[4-[4-[(8-acetamido-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-amino-4-oxidonaphthalene-2,7-disulfonate.

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