4-dodecylbenzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 4-dodecylbenzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 4-dodecylbenzenesulfonate; tris-p-tolylsulfonium CAS Name: 4-dodecylbenzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 4-dodecylbenzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 4-laurylbesylate; tris-p-tolylsulfonium Formula: C39H50O3S2 MolecularWeight: 630.9425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=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

CCCCCCCCCCCCC1=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.C18H30O3S/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;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h4-15H,1-3H3;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1