RefChem:579816 structure

RefChem:579816

copper;trisodium;4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate

Also Known As: Cuprate(3-), (4-amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)azo-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(5-))-, trisodium|Cuprate(3-), (4-amino-6-(2-(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(5-))-, sodium (1:3)|4-Amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-5-hydroxy-1,3-naphthalenedisulfonic acid, trisodium salt, copper complex|copper(2+) sodium 4-amino-6-[(e)-{6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl}diazenyl]-5-oxidonaphthalene-1,3-disulfonate(1:3:1)|Cuprate(3-), (4-amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-5-hydroxy-1,3-naphthalenedisulfonato(5-))-, trisodium|Cuprate(3-), [4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(hydroxy-.kappa.O)-4-sulfo-1-naphthalenyl]azo-.kappa.N1]-5-(hydroxy-.kappa.O)-1,3-naphthalenedisulfonato(5-)]-, trisodium|Cuprate(3-), [4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfo-1-naphthalenyl]azo]-5-hydroxy-1,3-naphthalenedisulfonato(5-)]-, trisodium|[(6R,8S,10R,13S,14S,16S)-17-(2-acetyloxyacetyl)-2-bromo-6-fluoro-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate|copper trisodium 4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate|copper,trisodium,4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate|Cuprate(3-), [4-amino-6-[[6-[(4-amino- 6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfo -1-naphthalenyl]azo]-5-hydroxy-1,3-naphthalenedisulfonat o(5-)]-, trisodium|Cuprate(3-), [4-amino-6-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(hydroxy-.kappa.O)-4-sulfo-1-naphthalenyl]diazenyl-.kappa.N1]-5-(hydroxy-.kappa.O)-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3)|Cuprate(3-), [4-amino-6-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl]diazenyl-kappaN1]-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(5-)]-, sodium (1:3)|Trisodium (4-amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-4-sulpho-1-naphthyl)azo)-5-hydroxynaphthalene-1,3-disulphonato(5-))cuprate(3-)|Trisodium [4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulpho-1-naphthyl]azo]-5-hydroxynaphthalene-1,3-disulphonato(5-)]cuprate(3-)

CAS: 59534-76-8
Molecular Formula C23H12ClCuN8Na3O11S3
Molecular Weight 838.8465 g/mol
LogP -7.9762
Topological Polar Surface Area 370.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 19
Rotatable Bonds 4
Exact Mass 838.8465
Monoisotopic Mass 838.8465
Heavy Atoms 50
Complexity 1420.0

Chemical Identifiers

CAS Number 59534-76-8
SMILES C1=CC2=C(C(=CC(=C2C=C1NC3=NC(=NC(=N3)N)Cl)S(=O)(=O)[O-])[O-])N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2]
InChIKey DRDLDYZXCAXGFO-UHFFFAOYSA-I

Product Overview

RefChem:579816 (CAS 59534-76-8), with molecular formula C23H12ClCuN8Na3O11S3 and molecular weight 838.8465 g/mol. IUPAC: copper;trisodium;4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate.

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