diphenyl-(4-propan-2-ylphenyl)sulfanium; 2-dodecylbenzenesulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 2-dodecylbenzenesulfonate Openeye Name: 2-dodecylbenzenesulfonate; (4-isopropylphenyl)-diphenyl-sulfonium CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; 2-dodecylbenzenesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbesylate; p-cumenyl(diphenyl)sulfonium Formula: C39H50O3S2 MolecularWeight: 630.9425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21S.C18H30O3S/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h3-17H,1-2H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1