NSC65861

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

Also Known As: 5-[(E)-[4-[4-[(E)-[2,4-diamino-5-methyl-3-[(E)-[4-[(4-sulfophenyl)carbamoyl]phenyl]azo]phenyl]azo]phenyl]phenyl]azo]-2-hydroxy-benzoic acid|5-{(E)-[4'-((E)-{2,4-Diamino-5-methyl-3-[(E)-(4-{[(4-sulfophenyl)amino]carbonyl}phenyl)diazenyl]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoic acid|sodium;(3Z)-3-[[4-[4-[[2,4-diamino-5-methyl-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Molecular Formula	C39H31N9O7S
Molecular Weight	769.2067 g/mol
LogP	7.2
Topological Polar Surface Area	276.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	769.2067
Monoisotopic Mass	769.2067
Heavy Atoms	56
Complexity	1500.0

Chemical Identifiers

CAS Number	7356-50-5
SMILES	CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)O
InChIKey	ZFFXGMZEQZCKFS-UHFFFAOYSA-N