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

Systemtic Name: bis(4-dimethylaminophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; 4-tert-butylbenzenesulfonate Openeye Name: (4-tert-butoxyphenyl)-bis(4-dimethylaminophenyl)sulfonium; 4-tert-butylbenzenesulfonate CAS Name: bis(4-dimethylaminophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium; 4-tert-butylbenzenesulfonate IUPAC Name: bis(4-dimethylaminophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; 4-tert-butylbenzenesulfonate Traditional Name: (4-tert-butoxyphenyl)-bis(4-dimethylaminophenyl)sulfonium; 4-tert-butylbesylate Formula: C36H46N2O4S2 MolecularWeight: 634.89144

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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)N(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)N(C)C

InChI

InChI=1S/C26H33N2OS.C10H14O3S/c1-26(2,3)29-22-12-18-25(19-13-22)30(23-14-8-20(9-15-23)27(4)5)24-16-10-21(11-17-24)28(6)7;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h8-19H,1-7H3;4-7H,1-3H3,(H,11,12,13)/q+1;/p-1