RefChem:566050

tetrasodium;5-[[3-carboxylato-4-[[1-(2-methoxy-5-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]diazenyl]benzoate

Also Known As: EINECS 303-253-8|C.I. Direct Yellow 69, tetrasodium salt|5,5'-(Carbonyldiimino)-2-((1-((2-methoxy-5-sulfophenyl)amino)-1,3-dioxo-2-butyl)azo)-2'-((1'-((4'-sulfophenyl)amino)-1',3'-dioxo-2'-butyl)azo)bis(benzoic acid), tetrasodium salt|5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt|Benzoic acid, 5-((((3-carboxy-4-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)amino)carbonyl)amino)-2-((2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)azo)-, tetrasodium salt|Benzoic acid, 5-((((3-carboxy-4-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)amino)carbonyl)amino)-2-(2-(2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)diazenyl)-, sodium salt (1:4)|Benzoic acid, 5-[[[[3-carboxy-4-[[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]amino]carbonyl]amino]-2-[[2-oxo-1-[[(4-sulfophenyl)amino]carbonyl]propyl]azo]-, tetrasodium salt|Benzoic acid, 5-[[[[3-carboxy-4-[2-[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]amino]carbonyl]amino]-2-[2-[2-oxo-1-[[(4-sulfophenyl)amino]carbonyl]propyl]diazenyl]-, sodium salt (1:4)|5-[[[3-carboxy-4-[[1-[(2-methoxy-5-sulphoanilino)carbonyl]-2-oxopropyl]azo]anilino]carbonyl]amino]-2-[[2-oxo-1-[(4-sulphoanilino)carbonyl]propyl]azo]benzoic acid, sodium salt|613-400-0|tetrasodium 5-[[3-carboxylato-4-[[1-(2-methoxy-5-sulfonatoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]diazenyl]benzoate

Molecular Formula	C36H28N8Na4O16S2
Molecular Weight	984.06555 g/mol
LogP	-10.7496
Topological Polar Surface Area	386.8 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	20
Rotatable Bonds	17
Exact Mass	984.06555
Monoisotopic Mass	984.06555
Heavy Atoms	66
Complexity	2798.346

Chemical Identifiers

CAS Number	94159-73-6
SMILES	CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)[O-])OC)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]