ethyl 4-(3-methylsulfonylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-methylsulfonylphenyl)-2-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-methylsulfonylphenyl)-2-oxo-butanoate CAS Name: 4-(3-methylsulfonylphenyl)-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-methylsulfonylphenyl)-2-oxobutanoate Traditional Name: 2-keto-4-(3-mesylphenyl)butyric acid ethyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CCC1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(=O)CCC1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H16O5S/c1-3-18-13(15)12(14)8-7-10-5-4-6-11(9-10)19(2,16)17/h4-6,9H,3,7-8H2,1-2H3