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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-dipyridin-3-yl-sulfanium; 2-octylbenzenesulfonate Openeye Name: [4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-bis(3-pyridyl)sulfonium; 2-octylbenzenesulfonate CAS Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-bis(3-pyridinyl)sulfonium; 2-octylbenzenesulfonate IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-dipyridin-3-ylsulfanium; 2-octylbenzenesulfonate Traditional Name: [4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-bis(3-pyridyl)sulfonium; 2-octylbesylate Formula: C36H44N2O6S2 MolecularWeight: 664.87436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C22H23N2O3S.C14H22O3S/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;1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17/h4-15H,16H2,1-3H3;8-9,11-12H,2-7,10H2,1H3,(H,15,16,17)/q+1;/p-1