potassium 4-(2-cyano-4-oxidanyl-3,5-diphenyl-phenyl)benzenesulfonate

Systemtic Name: potassium 4-(2-cyano-4-oxidanyl-3,5-diphenyl-phenyl)benzenesulfonate Openeye Name: potassium 4-(2-cyano-4-hydroxy-3,5-diphenyl-phenyl)benzenesulfonate CAS Name: potassium 4-(2-cyano-4-hydroxy-3,5-diphenylphenyl)benzenesulfonate IUPAC Name: potassium 4-(2-cyano-4-hydroxy-3,5-diphenylphenyl)benzenesulfonate Traditional Name: potassium 4-(2-cyano-4-hydroxy-3,5-diphenyl-phenyl)besylate Formula: C25H16KNO4S MolecularWeight: 465.56214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C#N)C4=CC=CC=C4)O.[K+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C#N)C4=CC=CC=C4)O.[K+]

InChI

InChI=1S/C25H17NO4S.K/c26-16-23-21(18-11-13-20(14-12-18)31(28,29)30)15-22(17-7-3-1-4-8-17)25(27)24(23)19-9-5-2-6-10-19;/h1-15,27H,(H,28,29,30);/q;+1/p-1