4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenyl-pyridin-1-ium-2-yl]benzenesulfonate

Systemtic Name: 4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenyl-pyridin-1-ium-2-yl]benzenesulfonate Openeye Name: 4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenyl-pyridin-1-ium-2-yl]benzenesulfonate CAS Name: 4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)-4-pyridin-1-iumyl]phenyl]-6-phenyl-2-pyridin-1-iumyl]benzenesulfonate IUPAC Name: 4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenylpyridin-1-ium-2-yl]benzenesulfonate Traditional Name: 4-[1-butyl-4-[4-[1-butyl-2-phenyl-6-(4-sulfonatophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenyl-pyridin-1-ium-2-yl]besylate Formula: C48H44N2O6S2 MolecularWeight: 809.00276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)C4=CC(=[N+](C(=C4)C5=CC=C(C=C5)S(=O)(=O)[O-])CCCC)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)C4=CC(=[N+](C(=C4)C5=CC=C(C=C5)S(=O)(=O)[O-])CCCC)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C48H44N2O6S2/c1-3-5-29-49-45(37-13-9-7-10-14-37)31-41(33-47(49)39-21-25-43(26-22-39)57(51,52)53)35-17-19-36(20-18-35)42-32-46(38-15-11-8-12-16-38)50(30-6-4-2)48(34-42)40-23-27-44(28-24-40)58(54,55)56/h7-28,31-34H,3-6,29-30H2,1-2H3