4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium

bis(4-methylbenzenesulfonate);4-[3-[4-[(1-methylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide

Also Known As: 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium|1-Methyl-4-{4-[4-(3-{4-[(1-methylpyridin-1-ium-4-yl)amino]anilino}-3-oxoprop-1-en-1-yl)benzamido]anilino}pyridin-1-ium bis(4-methylbenzene-1-sulfonate)|Pyridinium, 1-methyl-4-[[4-[[3-[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]phenyl]-1-oxo-2-propenyl]amino]phenyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2)

Molecular Formula	C48H46N6O8S2
Molecular Weight	898.28186 g/mol
LogP	7.52524
Topological Polar Surface Area	221.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	898.28186
Monoisotopic Mass	898.28186
Heavy Atoms	64
Complexity	1050.0

Chemical Identifiers

CAS Number	20719-22-6
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)NC2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C
InChIKey	PYALERXGMWPUES-UHFFFAOYSA-N