methyl 2-ethanoyl-4-(4-methylsulfonylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-ethanoyl-4-(4-methylsulfonylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-4-(4-methylsulfonylphenyl)-4-oxo-butanoate CAS Name: 2-acetyl-4-(4-methylsulfonylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetyl-4-(4-methylsulfonylphenyl)-4-oxobutanoate Traditional Name: 2-acetyl-4-keto-4-(4-mesylphenyl)butyric acid methyl ester Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O6S/c1-9(15)12(14(17)20-2)8-13(16)10-4-6-11(7-5-10)21(3,18)19/h4-7,12H,8H2,1-3H3