[4-(dimethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [4-(dimethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [4-(dimethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [4-[dimethylamino(oxo)methoxy]-2,5-dimethylphenyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [4-(dimethylcarbamoyloxy)-2,5-dimethylphenyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [4-(dimethylcarbamoyloxy)-2,5-dimethyl-phenyl]-dimethyl-sulfonium tosylate Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1[S+](C)C)C)OC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1[S+](C)C)C)OC(=O)N(C)C

InChI

InChI=1S/C13H20NO2S.C7H8O3S/c1-9-8-12(17(5)6)10(2)7-11(9)16-13(15)14(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1