2-(4-dimethylsulfoniophenyl)ethanoate; methyl hydrogen sulfate

Systemtic Name: 2-(4-dimethylsulfoniophenyl)ethanoate; methyl hydrogen sulfate Openeye Name: 2-(4-dimethylsulfoniophenyl)acetate; methyl hydrogen sulfate CAS Name: 2-(4-dimethylsulfoniophenyl)acetate; sulfuric acid methyl ester IUPAC Name: 2-(4-dimethylsulfoniophenyl)acetate; methyl hydrogen sulfate Traditional Name: 2-(4-dimethylsulfoniophenyl)acetate; sulfuric acid methyl ester Formula: C11H16O6S2 MolecularWeight: 308.37114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S.CH4O4S/c1-13(2)9-5-3-8(4-6-9)7-10(11)12;1-5-6(2,3)4/h3-6H,7H2,1-2H3;1H3,(H,2,3,4)