(4-tert-butylphenyl) 2-dodecylbenzenesulfonate; diphenylsulfanium

Systemtic Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate; diphenylsulfanium Openeye Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate; diphenylsulfonium CAS Name: diphenylsulfonium; 2-dodecylbenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate; diphenylsulfanium Traditional Name: diphenylsulfonium; 2-laurylbenzenesulfonic acid (4-tert-butylphenyl) ester Formula: C40H53O3S2+ MolecularWeight: 645.97702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

InChI

InChI=1S/C28H42O3S.C12H10S/c1-5-6-7-8-9-10-11-12-13-14-17-24-18-15-16-19-27(24)32(29,30)31-26-22-20-25(21-23-26)28(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h15-16,18-23H,5-14,17H2,1-4H3;1-10H/p+1