2-methylbenzenesulfonate; tris(2-methylphenyl)sulfanium

Systemtic Name: 2-methylbenzenesulfonate; tris(2-methylphenyl)sulfanium Openeye Name: 2-methylbenzenesulfonate; tris-o-tolylsulfonium CAS Name: 2-methylbenzenesulfonate; tris(2-methylphenyl)sulfonium IUPAC Name: 2-methylbenzenesulfonate; tris(2-methylphenyl)sulfanium Traditional Name: 2-methylbesylate; tris-o-tolylsulfonium Formula: C28H28O3S2 MolecularWeight: 476.65012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[S+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[S+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C21H21S.C7H8O3S/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-6-4-2-3-5-7(6)11(8,9)10/h4-15H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1