dimethyl 2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: dimethyl 2-[2-(4-methylsulfonylphenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-[2-keto-2-(4-mesylphenyl)ethyl]malonic acid dimethyl ester Formula: C14H16O7S MolecularWeight: 328.33764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O7S/c1-20-13(16)11(14(17)21-2)8-12(15)9-4-6-10(7-5-9)22(3,18)19/h4-7,11H,8H2,1-3H3