Azo dye

trisodium;5-acetamido-2-[[1-[4-[4-[[2-[[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]benzoate

Also Known As: Azo dye|2-((1-(((4'-(2-((4-Acetamido-2-carboxyphenyl)azo)acetoacetamido)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-(((4-sulphoanilino)carbonyl)amino)benzoic acid, sodium salt|Benzoic acid, 2-((1-(((4'-((2-((4-(acetylamino)-2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-((((4-sulfophenyl)amino)carbonyl)amino)-, trisodium salt|Benzoic acid, 2-(2-(1-(((4'-((2-(2-(4-(acetylamino)-2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-5-((((4-sulfophenyl)amino)carbonyl)amino)-, sodium salt (1:3)|Benzoic acid, 2-((1-(((4'-((2-((4-(acetylamino)-2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)amino)carbonyl)-2-oxopropyl)azo)-5-((((4-sulfop henyl)amino)carbonyl)amino)-, trisodium salt|2-[[1-[[[4'-[2-[ azo]acetoacetamido]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbonyl]-2-oxopropyl]azo]-5-[[ carbonyl]amino]benzoicacid,sodiumsalt|2-[[1-[[[4'-[2-[(4-acetamido-2-carboxyphenyl)azo]acetoacetamido]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbonyl]-2-oxopropyl]azo]-5-[[(4-sulphoanilino)carbonyl]amino]benzoic acid, sodium salt|Benzoic acid, 2-[[1-[[[4'-[[2-[[4-(acetylamino) -2-carboxyphenyl]azo]-1,3-dioxobutyl]amino ]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbony l]-2-oxopropyl]azo]-5-[[[(4-sulfophenyl)amino]carbon yl]amino]-, trisodium salt|Benzoic acid, 2-[[1-[[[4'-[[2-[[4-(acetylamino)-2-carboxyphenyl]azo]-1,3-dioxobutyl]amino]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbonyl]-2-oxopropyl]azo]-5-[[[(4-sulfophenyl)amino]carbonyl]amino]-, sodium salt|Benzoic acid, 2-[[1-[[[4'-[[2-[[4-(acetylamino)-2-carboxyphenyl]azo]-1,3-dioxobutyl]amino]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbonyl]-2-oxopropyl]azo]-5-[[[(4-sulfophenyl)amino]carbonyl]amino]-, trisodium salt|Benzoic acid, 2-[2-[1-[[[4'-[[2-[2-[4-(acetylamino)-2-carboxyphenyl]diazenyl]-1,3-dioxobutyl]amino]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino]carbonyl]-2-oxopropyl]diazenyl]-5-[[[(4-sulfophenyl)amino]carbonyl]amino]-, sodium salt (1:3)|trisodium 2-[1-[[4-[4-[[2-(4-acetamido-2-carboxylatophenyl)diazenyl-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylphenyl]amino]-1,3-dioxobutan-2-yl]diazenyl-5-[(4-sulfonatophenyl)carbamoylamino]benzoate|trisodium 5-acetamido-2-[[1-[4-[4-[[2-[[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]benzoate|Trisodium 5-acetamido-2-{[1-({4'-[2-({2-carboxylato-4-[(4-sulfonatophenyl)carbamamido]phenyl}diazenyl)-3-oxobutanamido]-3,3'-dimethyl[biphenyl]-4-yl}amino)-1,3-dioxobutan-2-yl]diazenyl}benzoate

Molecular Formula	C45H38N9Na3O13S
Molecular Weight	1013.20026 g/mol
LogP	-4.42406
Topological Polar Surface Area	358.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	14
Exact Mass	1013.20026
Monoisotopic Mass	1013.20026
Heavy Atoms	71
Complexity	2020.0

Chemical Identifiers

CAS Number	97337-85-4
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])C)NC(=O)C(C(=O)C)N=NC5=C(C=C(C=C5)NC(=O)C)C(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	XFPDJDWDAYFSSF-UHFFFAOYSA-K