4-octylbenzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 4-octylbenzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 4-octylbenzenesulfonate; tris-p-tolylsulfonium CAS Name: 4-octylbenzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 4-octylbenzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 4-octylbesylate; tris-p-tolylsulfonium Formula: C35H42O3S2 MolecularWeight: 574.83618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21S.C14H22O3S/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;1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h4-15H,1-3H3;9-12H,2-8H2,1H3,(H,15,16,17)/q+1;/p-1