RefChem:339153

disodium;5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-hydroxybenzoate

Also Known As: Disodium 5-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoyl)amino)salicylate|229-834-5|Benzoic acid, 5-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)-2-hydroxy-, disodium salt|Benzoic acid, 5-((4-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)benzoyl)amino)-2-hydroxy-, sodium salt (1:2)|Disodium 5-(4-{[6-(4-aminobenzamido)-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl}benzamido)-2-hydroxybenzoate|Disodium 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl]azo]benzoyl]amino]salicylate|Disodium 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]salicylate

Molecular Formula	C31H21N5Na2O9S
Molecular Weight	685.0855 g/mol
LogP	-1.9712
Topological Polar Surface Area	255.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	685.0855
Monoisotopic Mass	685.0855
Heavy Atoms	48
Complexity	1210.0

Chemical Identifiers

CAS Number	6771-94-4
SMILES	C1=CC(=CC=C1C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
InChIKey	FVUOWKYUMVGOJA-UHFFFAOYSA-L