4-tert-butylbenzenesulfonate; (4-dimethylaminophenyl)-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: 4-tert-butylbenzenesulfonate; (4-dimethylaminophenyl)-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: bis(4-tert-butoxyphenyl)-(4-dimethylaminophenyl)sulfonium; 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonate; (4-dimethylaminophenyl)-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 4-tert-butylbenzenesulfonate; (4-dimethylaminophenyl)-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: bis(4-tert-butoxyphenyl)-(4-dimethylaminophenyl)sulfonium; 4-tert-butylbesylate Formula: C38H49NO5S2 MolecularWeight: 663.92936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36NO2S.C10H14O3S/c1-27(2,3)30-22-11-17-25(18-12-22)32(24-15-9-21(10-16-24)29(7)8)26-19-13-23(14-20-26)31-28(4,5)6;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h9-20H,1-8H3;4-7H,1-3H3,(H,11,12,13)/q+1;/p-1