AC1O5UIB
bis(4-methylbenzenesulfonate);(E)-3-[4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)amino]anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide
Also Known As: SN 6752|Pyridinium, 4,4'-(p-phenylenebis(acryloylimino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate|1-Methyl-3-{4-[(2E)-3-{4-[(1E)-3-{4-[(1-methylpyridin-1-ium-4-yl)amino]anilino}-3-oxoprop-1-en-1-yl]phenyl}prop-2-enamido]anilino}pyridin-1-ium bis(4-methylbenzene-1-sulfonate)|4-methylbenzenesulfonate; (E)-3-[4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)amino]anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide
| Molecular Formula | C50H48N6O8S2 |
|---|---|
| Molecular Weight | 924.2975 g/mol |
| LogP | 7.92484 |
| Topological Polar Surface Area | 204.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 924.2975 |
| Monoisotopic Mass | 924.2975 |
| Heavy Atoms | 66 |
| Complexity | 2925.3428 |
Chemical Identifiers
| CAS Number | 20719-25-9 |
|---|---|
| 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=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=C(C=C4)NC5=C[N+](=CC=C5)C |
Product Overview
AC1O5UIB (CAS 20719-25-9), with molecular formula C50H48N6O8S2 and molecular weight 924.2975 g/mol. IUPAC: bis(4-methylbenzenesulfonate);(E)-3-[4-[(E)-3-[4-[(1-methylpyridin-1-ium-3-yl)amino]anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide.