CTK5D0154

5-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Also Known As: Butanoic acid,2-amino-4-cyano-,(R)|5-((4'-((2,4-Diamino-3-((4-(4-ethoxyanilino)-3-sulfophenyl)diazenyl)-5-methylphenyl)diazenyl)[1,1'-biphenyl]-4-yl)diazenyl)-2-hydroxybenzoic acid|3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid|5-[(E)-[4-[4-[(E)-[2,4-diamino-3-[(E)-[4-(4-ethoxyanilino)-3-sulfo-phenyl]azo]-5-methyl-phenyl]azo]phenyl]phenyl]azo]-2-hydroxy-benzoic acid|Benzoic acid,5-[2-[4'-[2-[2,4-diamino-3-[2-[4-[(4-ethoxyphenyl)amino]-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-,sodium salt (1:2)

Molecular Formula	C40H35N9O7S
Molecular Weight	785.23804 g/mol
LogP	8.8
Topological Polar Surface Area	268.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	13
Exact Mass	785.23804
Monoisotopic Mass	785.23804
Heavy Atoms	57
Complexity	1480.0

Chemical Identifiers

CAS Number	6949-22-0
SMILES	CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=C(C(=CC(=C3N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)O)C)N)S(=O)(=O)O
InChIKey	WIGUODXJYVJDCK-UHFFFAOYSA-N