[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl]-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl]-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: [2-(2,5-dimethoxyphenyl)-2-keto-ethyl]-diphenyl-sulfonium tosylate Formula: C29H28O6S2 MolecularWeight: 536.65902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21O3S.C7H8O3S/c1-24-17-13-14-22(25-2)20(15-17)21(23)16-26(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1