[5-tert-butyl-4-(dimethylcarbamoyloxy)-2-methyl-phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [5-tert-butyl-4-(dimethylcarbamoyloxy)-2-methyl-phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [5-tert-butyl-4-(dimethylcarbamoyloxy)-2-methyl-phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [5-tert-butyl-4-[dimethylamino(oxo)methoxy]-2-methylphenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [5-tert-butyl-4-(dimethylcarbamoyloxy)-2-methylphenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [5-tert-butyl-4-(dimethylcarbamoyloxy)-2-methyl-phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C17H29NO6S2 MolecularWeight: 407.54526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26NO2S.CH4O4S/c1-11-9-13(19-15(18)17(5)6)12(16(2,3)4)10-14(11)20(7)8;1-5-6(2,3)4/h9-10H,1-8H3;1H3,(H,2,3,4)/q+1;/p-1