benzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: benzenesulfonate; tris-p-tolylsulfonium CAS Name: benzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: benzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: tris-p-tolylsulfonium besylate Formula: C27H26O3S2 MolecularWeight: 462.62354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21S.C6H6O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;7-10(8,9)6-4-2-1-3-5-6/h4-15H,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1