bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-yl-sulfanium; 2,4-dimethylbenzenesulfonate

Systemtic Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-yl-sulfanium; 2,4-dimethylbenzenesulfonate Openeye Name: bis(4-tert-butoxyphenyl)-(3-pyridyl)sulfonium; 2,4-dimethylbenzenesulfonate CAS Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-(3-pyridinyl)sulfonium; 2,4-dimethylbenzenesulfonate IUPAC Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-ylsulfanium; 2,4-dimethylbenzenesulfonate Traditional Name: bis(4-tert-butoxyphenyl)-(3-pyridyl)sulfonium; 2,4-dimethylbesylate Formula: C33H39NO5S2 MolecularWeight: 593.79646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C25H30NO2S.C8H10O3S/c1-24(2,3)27-19-9-13-21(14-10-19)29(23-8-7-17-26-18-23)22-15-11-20(12-16-22)28-25(4,5)6;1-6-3-4-8(7(2)5-6)12(9,10)11/h7-18H,1-6H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1