benzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-dipyridin-3-yl-sulfanium

Systemtic Name: benzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-dipyridin-3-yl-sulfanium Openeye Name: benzenesulfonate; [4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-bis(3-pyridyl)sulfonium CAS Name: benzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-bis(3-pyridinyl)sulfonium IUPAC Name: benzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-dipyridin-3-ylsulfanium Traditional Name: [4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-bis(3-pyridyl)sulfonium besylate Formula: C28H28N2O6S2 MolecularWeight: 552.66172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23N2O3S.C6H6O3S/c1-22(2,3)27-21(25)16-26-17-8-10-18(11-9-17)28(19-6-4-12-23-14-19)20-7-5-13-24-15-20;7-10(8,9)6-4-2-1-3-5-6/h4-15H,16H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1