[5-chloranyl-4-(dimethylcarbamoyloxy)-2-methoxy-phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [5-chloranyl-4-(dimethylcarbamoyloxy)-2-methoxy-phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [5-chloro-4-(dimethylcarbamoyloxy)-2-methoxy-phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [5-chloro-4-[dimethylamino(oxo)methoxy]-2-methoxyphenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [5-chloro-4-(dimethylcarbamoyloxy)-2-methoxyphenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [5-chloro-4-(dimethylcarbamoyloxy)-2-methoxy-phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C13H20ClNO7S2 MolecularWeight: 401.8834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(C=C(C(=C1)OC)[S+](C)C)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C(=O)OC1=C(C=C(C(=C1)OC)[S+](C)C)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H17ClNO3S.CH4O4S/c1-14(2)12(15)17-9-7-10(16-3)11(18(4)5)6-8(9)13;1-5-6(2,3)4/h6-7H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1