(2-acetyloxyphenyl)-dimethyl-sulfanium; methyl sulfate

Systemtic Name: (2-acetyloxyphenyl)-dimethyl-sulfanium; methyl sulfate Openeye Name: (2-acetoxyphenyl)-dimethyl-sulfonium; methyl sulfate CAS Name: (2-acetyloxyphenyl)-dimethylsulfonium; methyl sulfate IUPAC Name: (2-acetyloxyphenyl)-dimethylsulfanium; methyl sulfate Traditional Name: (2-acetoxyphenyl)-dimethyl-sulfonium; methyl sulfate Formula: C11H16O6S2 MolecularWeight: 308.37114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H13O2S.CH4O4S/c1-8(11)12-9-6-4-5-7-10(9)13(2)3;1-5-6(2,3)4/h4-7H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1