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

Systemtic Name: methyl 2-ethanoyl-2-methyl-4-(4-methylsulfonylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-2-methyl-4-(4-methylsulfonylphenyl)-4-oxo-butanoate CAS Name: 2-acetyl-2-methyl-4-(4-methylsulfonylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetyl-2-methyl-4-(4-methylsulfonylphenyl)-4-oxobutanoate Traditional Name: 2-acetyl-4-keto-4-(4-mesylphenyl)-2-methyl-butyric acid methyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O6S/c1-10(16)15(2,14(18)21-3)9-13(17)11-5-7-12(8-6-11)22(4,19)20/h5-8H,9H2,1-4H3