4-[1-(4-oxidanyl-3,5-diphenyl-phenyl)-2,6-diphenyl-pyridin-1-ium-4-yl]benzenesulfonate

Systemtic Name: 4-[1-(4-oxidanyl-3,5-diphenyl-phenyl)-2,6-diphenyl-pyridin-1-ium-4-yl]benzenesulfonate Openeye Name: 4-[1-(4-hydroxy-3,5-diphenyl-phenyl)-2,6-diphenyl-pyridin-1-ium-4-yl]benzenesulfonate CAS Name: 4-[1-(4-hydroxy-3,5-diphenylphenyl)-2,6-diphenyl-4-pyridin-1-iumyl]benzenesulfonate IUPAC Name: 4-[1-(4-hydroxy-3,5-diphenylphenyl)-2,6-diphenylpyridin-1-ium-4-yl]benzenesulfonate Traditional Name: 4-[1-(4-hydroxy-3,5-diphenyl-phenyl)-2,6-diphenyl-pyridin-1-ium-4-yl]besylate Formula: C41H29NO4S MolecularWeight: 631.73826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2O)C3=CC=CC=C3)[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2O)C3=CC=CC=C3)[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C41H29NO4S/c43-41-37(30-13-5-1-6-14-30)27-35(28-38(41)31-15-7-2-8-16-31)42-39(32-17-9-3-10-18-32)25-34(26-40(42)33-19-11-4-12-20-33)29-21-23-36(24-22-29)47(44,45)46/h1-28H,(H-,43,44,45,46)