benzenesulfonate; [3-(dimethylamino)phenyl]-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: benzenesulfonate; [3-(dimethylamino)phenyl]-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: benzenesulfonate; bis(4-tert-butoxyphenyl)-[3-(dimethylamino)phenyl]sulfonium CAS Name: benzenesulfonate; [3-(dimethylamino)phenyl]-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: benzenesulfonate; [3-(dimethylamino)phenyl]-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: bis(4-tert-butoxyphenyl)-[3-(dimethylamino)phenyl]sulfonium besylate Formula: C34H41NO5S2 MolecularWeight: 607.82304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36NO2S.C6H6O3S/c1-27(2,3)30-22-12-16-24(17-13-22)32(26-11-9-10-21(20-26)29(7)8)25-18-14-23(15-19-25)31-28(4,5)6;7-10(8,9)6-4-2-1-3-5-6/h9-20H,1-8H3;1-5H,(H,7,8,9)/q+1;/p-1