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

Systemtic Name: methyl 3-(4-methylsulfonylphenyl)-3-oxidanylidene-2-phenyl-propanoate Openeye Name: methyl 3-(4-methylsulfonylphenyl)-3-oxo-2-phenyl-propanoate CAS Name: 3-(4-methylsulfonylphenyl)-3-oxo-2-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfonylphenyl)-3-oxo-2-phenylpropanoate Traditional Name: 3-keto-3-(4-mesylphenyl)-2-phenyl-propionic acid methyl ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H16O5S/c1-22-17(19)15(12-6-4-3-5-7-12)16(18)13-8-10-14(11-9-13)23(2,20)21/h3-11,15H,1-2H3