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

Systemtic Name: 4-methylbenzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-dipyridin-2-yl-sulfanium Openeye Name: [4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-bis(2-pyridyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-bis(2-pyridinyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-dipyridin-2-ylsulfanium Traditional Name: [4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-bis(2-pyridyl)sulfonium tosylate Formula: C29H30N2O6S2 MolecularWeight: 566.6883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C22H23N2O3S.C7H8O3S/c1-22(2,3)27-21(25)16-26-17-10-12-18(13-11-17)28(19-8-4-6-14-23-19)20-9-5-7-15-24-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-15H,16H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1