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

Systemtic Name: 4-tert-butylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-bis[3-(pyridin-2-ylmethoxy)phenyl]sulfanium Openeye Name: (3-tert-butoxyphenyl)-bis[3-(2-pyridylmethoxy)phenyl]sulfonium; 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-bis[3-(2-pyridinylmethoxy)phenyl]sulfonium IUPAC Name: 4-tert-butylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-bis[3-(pyridin-2-ylmethoxy)phenyl]sulfanium Traditional Name: (3-tert-butoxyphenyl)-bis[3-(2-pyridylmethoxy)phenyl]sulfonium; 4-tert-butylbesylate Formula: C44H46N2O6S2 MolecularWeight: 762.97584

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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(=CC=C1)[S+](C2=CC=CC(=C2)OCC3=CC=CC=N3)C4=CC=CC(=C4)OCC5=CC=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC(=CC=C1)[S+](C2=CC=CC(=C2)OCC3=CC=CC=N3)C4=CC=CC(=C4)OCC5=CC=CC=N5

InChI

InChI=1S/C34H33N2O3S.C10H14O3S/c1-34(2,3)39-30-15-10-18-33(23-30)40(31-16-8-13-28(21-31)37-24-26-11-4-6-19-35-26)32-17-9-14-29(22-32)38-25-27-12-5-7-20-36-27;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-23H,24-25H2,1-3H3;4-7H,1-3H3,(H,11,12,13)/q+1;/p-1