(4-methylphenyl)-diphenyl-sulfanium; octane-1-sulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; octane-1-sulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; octane-1-sulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 1-octanesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; octane-1-sulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; octane-1-sulfonate Formula: C27H34O3S2 MolecularWeight: 470.68706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17S.C8H18O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-4-5-6-7-8-12(9,10)11/h2-15H,1H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1