Direct Blue 218 structure

Direct Blue 218

tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;copper

Also Known As: DIRECT BLUE 218|C.I. Direct Blue 218|Fastusol Blue 9GLP|Solantine Blue 10GL|Pontamine Bond Blue B|Amanil Supra Blue 9GL|CI Direct Blue 218|Pontamine Fast Blue 7GLN|DIRECTBLUE218|RefChem:589121|RR3V5FL20N|CCRIS 6142|HSDB 4223|NCI C60877|EINECS 249-008-8|DIRECT BLUE 218 [HSDB]|Direct Blue 218 (Technical Grade)|C.I. 24401|CI 24401|tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;copper|(3,3'-((3,3'-Dihydroxy-1,1'-biphenyl-4,4'-diyl)bis(azo)bis(5-amino-2,7-naphthalenedisulfonato-(O4,O3)))dicopper, tetrasodium salt|2,7-Naphthalenedisulfonic acid, 3,3'((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo)bis(5-amino-4-hydroxy-, sodium salt, copper complex|Copper, (mu-((tetrahydrogen 3,3'-((3,3'-dihydroxy-4,4'-biphenylene)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(4-)))di-, tetrasodium salt|Cuprate(4-) (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium|Cuprate(4-), (mu-((3,3'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(5-amino-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)|Cuprate(4-), (mu-((3,3'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(5-amino-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium|Cuprate(4-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium|Cuprate(4-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis-(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium salt|Tetrasodium (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)|(3,3'((3,3'Dihydroxy1,1'biphenyl4,4'diyl)bis(azo)bis(5amino2,7naphthalenedisulfonato(O4,O3)))dicopper, tetrasodium salt|2,7Naphthalenedisulfonic acid, 3,3'((3,3'dihydroxy(1,1'biphenyl)4,4'diyl)bis(azo)bis(5amino4hydroxy, sodium salt, copper complex|249-008-8|Copper, (mu((tetrahydrogen 3,3'((3,3'dihydroxy4,4'biphenylene)bis(azo))bis(5amino4hydroxy2,7naphthalenedisulfonato))(4)))di, tetrasodium salt|Cuprate(4) (mu((3,3'((3,3'dihydroxy(1,1'biphenyl)4,4'diyl)bis(azo))bis(5amino4hydroxy2,7naphthalenedisulfonato))(8)))di, tetrasodium|Cuprate(4), (mu((3,3'((3,3'dihydroxy(1,1'biphenyl)4,4'diyl)bis(azo))bis(5amino4hydroxy2,7naphthalenedisulfonato))(8)))di, tetrasodium salt|CUPRATE(4-), (.MU.-((3,3'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL-.KAPPA.N1))BIS(5-AMINO-4-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, SODIUM (1:4)|CUPRATE(4-), (.MU.-((3,3'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO-.KAPPA.N1))BIS(5-AMINO-4-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM|CUPRATE(4-), (.MU.-((3,3'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(5-AMINO-4-HYDROXY-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUM|Cuprate(4-), [.mu.-[[3,3'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium|Cuprate(4-), [.mu.-[[3,3'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(2,1-diazenediyl-.kappa.N1)]bis[5-amino-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato]](8-)]]di-, sodium (1:4)|Cuprate(4-), [.mu.-[[3,3'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(azo-.kappa.N1)]bis[5-amino-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium|CUPRATE(4-), [MU-[[3,3'-[(3,3'-DIHYDROXY[1,1'-BIPHENYL]-4,4'-DIYL)BIS(AZO)]BIS[5-AMINO-4-HYDROXY-2,7-NAPHTHALENEDISULFONATO]](8-)]]DI-, TETRASODIUM|TETRASODIUM (.MU.-((3,3'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(5-AMINO-4-HYDROXYNAPHTHALENE-2,7-DISULPHONATO))(8-)))DICUPRATE(4-)|Tetrasodium [mu-[[3,3'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)|tetrasodium 3,3'-[(3,3'-dihydroxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)

CAS: 28407-37-6
Molecular Formula C32H20Cu2N6Na4O16S4
Molecular Weight 1089.8002 g/mol
LogP -7.9
Topological Polar Surface Area 411.2 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 22
Rotatable Bonds 9
Exact Mass 1089.8002
Heavy Atoms 64
Complexity 3116.0

Chemical Identifiers

CAS Number 28407-37-6
SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)O)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]

Product Overview

Direct Blue 218 (CAS 28407-37-6), with molecular formula C32H20Cu2N6Na4O16S4 and molecular weight 1089.8002 g/mol. IUPAC: tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;copper.

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