AC1MHJBA

bis(4-methylbenzenesulfonate);4-[[4-(1-methylpyridin-1-ium-4-yl)anilino]diazenyl]-N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzamide

Also Known As: Pyridinium, 1-methyl-4-(p-(p-((p-(1-methylpyridinium-4-yl)phenyl)2-triazeno)benzamido)phenyl)-, di-p-toluenesulfonate|4-methylbenzenesulfonate; 4-[[4-(1-methylpyridin-1-ium-4-yl)anilino]diazenyl]-N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzamide

Molecular Formula	C45H42N6O7S2
Molecular Weight	842.2556 g/mol
LogP	7.83094
Topological Polar Surface Area	188.01 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	842.2556
Monoisotopic Mass	842.2556
Heavy Atoms	60
Complexity	2674.4136

Chemical Identifiers

CAS Number	68771-98-2
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=NNC4=CC=C(C=C4)C5=CC=[N+](C=C5)C