methyl 3-methyl-4-(4-methylsulfinylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 3-methyl-4-(4-methylsulfinylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 3-methyl-4-(4-methylsulfinylphenyl)-4-oxo-butanoate CAS Name: 3-methyl-4-(4-methylsulfinylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(4-methylsulfinylphenyl)-4-oxobutanoate Traditional Name: 4-keto-3-methyl-4-(4-methylsulfinylphenyl)butyric acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-9(8-12(14)17-2)13(15)10-4-6-11(7-5-10)18(3)16/h4-7,9H,8H2,1-3H3