4-fluoranylbenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium

Systemtic Name: 4-fluoranylbenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: diphenyl(p-tolyl)sulfonium; 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: 4-fluorobenzenesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: diphenyl(p-tolyl)sulfonium; 4-fluorobesylate Formula: C25H21FO3S2 MolecularWeight: 452.560843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17S.C6H5FO3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;7-5-1-3-6(4-2-5)11(8,9)10/h2-15H,1H3;1-4H,(H,8,9,10)/q+1;/p-1