potassium 4-[4-(3-methylphenyl)sulfanyl-3-phenyl-butyl]benzenesulfonate

Systemtic Name: potassium 4-[4-(3-methylphenyl)sulfanyl-3-phenyl-butyl]benzenesulfonate Openeye Name: potassium 4-[4-(m-tolylsulfanyl)-3-phenyl-butyl]benzenesulfonate CAS Name: potassium 4-[4-[(3-methylphenyl)thio]-3-phenylbutyl]benzenesulfonate IUPAC Name: potassium 4-[4-(3-methylphenyl)sulfanyl-3-phenylbutyl]benzenesulfonate Traditional Name: potassium 4-[4-(m-tolylthio)-3-phenyl-butyl]besylate Formula: C23H23KO3S2 MolecularWeight: 450.65522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC(CCC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[K+]

Isomeric SMILES

CC1=CC(=CC=C1)SCC(CCC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[K+]

InChI

InChI=1S/C23H24O3S2.K/c1-18-6-5-9-22(16-18)27-17-21(20-7-3-2-4-8-20)13-10-19-11-14-23(15-12-19)28(24,25)26;/h2-9,11-12,14-16,21H,10,13,17H2,1H3,(H,24,25,26);/q;+1/p-1