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

Systemtic Name: 4-butylbenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: 4-butylbenzenesulfonate; diphenyl(p-tolyl)sulfonium CAS Name: 4-butylbenzenesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: 4-butylbenzenesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: 4-butylbesylate; diphenyl(p-tolyl)sulfonium Formula: C29H30O3S2 MolecularWeight: 490.6767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17S.C10H14O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h2-15H,1H3;5-8H,2-4H2,1H3,(H,11,12,13)/q+1;/p-1