EINECS 268-147-5 structure

EINECS 268-147-5

copper;tetrasodium;2-oxido-5-[2-[4-[4-[(2Z)-2-[2-oxido-4-oxo-5-[[(7E)-8-oxo-7-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3,6-disulfonatonaphthalen-1-yl]diazenyl]cyclohexa-2,5-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinyl]benzoate

Also Known As: EINECS 268-147-5|Cuprate(4-), [5-[[4-[[4-[[2,4-dihydroxy-5-[[8-(hydroxy-.kappa.O)-7-[[2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-3,6-disulfo-1-naphthalenyl]azo]phenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-2-hydroxybenzoato(6-)]-, tetrasodium|Copper, (5-((4-((4-((5-((8-hydroxy-7-((2-hydroxyphenyl)azo)-3,6-disulfo-1-naphthyl)azo)-2,4-dihydroxyphenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-2-hydroxybenzoato(2-))-, tetrasodium salt|Cuprate(4-), (5-((4-((4-((2,4-dihydroxy-5-((8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)phenyl)azo-kappaN1)-3,6-disulfo-1-naphthalenyl)azo)phenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-2-hydroxybenzoato(6-))-, tetrasodium|Cuprate(4-), (5-(2-(4-((4-(2-(2,4-dihydroxy-5-(2-(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-3,6-disulfo-1-naphthalenyl)diazenyl)phenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-2-hydroxybenzoato(6-))-, sodium (1:4)|Cuprate(4-), [5-[[4-[[4-[[2,4-dihydroxy-5-[[8-hydroxy-7-[(2-hydroxyphenyl)azo]-3,6-disulfo-1-naphthalenyl]azo]phenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-2-hydroxybenzoato(6-)]-, tetrasodium|Tetrasodium [5-[[4-[[4-[[2,4-dihydroxy-5-[[8-hydroxy-7-[(2-hydroxyphenyl)azo]-3,6-disulpho-1-naphthyl]azo]phenyl]azo]phenyl]amino]-3-sulphophenyl]azo]salicylato(6-)]cuprate(4-)

CAS: 68015-79-2
Molecular Formula C41H23CuN9Na4O16S3
Molecular Weight 1147.9312 g/mol
LogP -11.0349
Topological Polar Surface Area 418.98 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 25
Rotatable Bonds 14
Exact Mass 1147.9312
Monoisotopic Mass 1147.9312
Heavy Atoms 74
Complexity 3605.7693

Chemical Identifiers

CAS Number 68015-79-2
SMILES C1=C/C(=N\N=C/2\C(=CC3=C(C2=O)C(=CC(=C3)S(=O)(=O)[O-])N=NC4=C/C(=N/NC5=CC=C(C=C5)NC6=C(C=C(C=C6)NNC7=CC(=C(C=C7)[O-])C(=O)[O-])S(=O)(=O)[O-])/C(=CC4=O)[O-])S(=O)(=O)[O-])/C(=O)C=C1.[Na+].[Na+].[Na+].[Na+].[Cu+2]

Product Overview

EINECS 268-147-5 (CAS 68015-79-2), with molecular formula C41H23CuN9Na4O16S3 and molecular weight 1147.9312 g/mol. IUPAC: copper;tetrasodium;2-oxido-5-[2-[4-[4-[(2Z)-2-[2-oxido-4-oxo-5-[[(7E)-8-oxo-7-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3,6-disulfonatonaphthalen-1-yl]diazenyl]cyclohexa-2,5-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinyl]benzoate.

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