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

Systemtic Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: bis(4-tert-butoxyphenyl)-[3-(4-pyridylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate CAS Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: bis(4-tert-butoxyphenyl)-[3-(4-pyridylmethoxy)phenyl]sulfonium tosylate Formula: C39H43NO6S2 MolecularWeight: 685.89182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=CC(=C3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=CC(=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C32H36NO3S.C7H8O3S/c1-31(2,3)35-25-10-14-28(15-11-25)37(29-16-12-26(13-17-29)36-32(4,5)6)30-9-7-8-27(22-30)34-23-24-18-20-33-21-19-24;1-6-2-4-7(5-3-6)11(8,9)10/h7-22H,23H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1