methyl 3-acetyloxy-3-(4-methylsulfonylphenyl)-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-acetyloxy-3-(4-methylsulfonylphenyl)-2-oxidanylidene-propanoate Openeye Name: methyl 3-acetoxy-3-(4-methylsulfonylphenyl)-2-oxo-propanoate CAS Name: 3-acetyloxy-3-(4-methylsulfonylphenyl)-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-acetyloxy-3-(4-methylsulfonylphenyl)-2-oxopropanoate Traditional Name: 3-acetoxy-2-keto-3-(4-mesylphenyl)propionic acid methyl ester Formula: C13H14O7S MolecularWeight: 314.31106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(=O)C(=O)OC

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(=O)C(=O)OC

InChI

InChI=1S/C13H14O7S/c1-8(14)20-12(11(15)13(16)19-2)9-4-6-10(7-5-9)21(3,17)18/h4-7,12H,1-3H3