2-dodecylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium

Systemtic Name: 2-dodecylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium Openeye Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium IUPAC Name: 2-dodecylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium Traditional Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 2-laurylbesylate Formula: C40H52O4S2 MolecularWeight: 660.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23OS.C18H30O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h4-17H,1-3H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1