Acid Orange 63 free acid

5-[4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonic acid

Also Known As: Acid Orange 63 free acid|(1,1'-Biphenyl)-3-sulfonic acid, 4'-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-|(1,1'-Biphenyl)-3-sulfonic acid, 4'-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-4-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-|5-[4-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonic acid

Molecular Formula	C35H28N6O10S3
Molecular Weight	788.1029 g/mol
LogP	7.54134
Topological Polar Surface Area	239.34 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	788.1029
Monoisotopic Mass	788.1029
Heavy Atoms	54
Complexity	2815.94

Chemical Identifiers

CAS Number	772275-82-8
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC=C(C=C4)N=NC5=C(NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)O)C)S(=O)(=O)O