methyl 2,2-dimethyl-4-oxidanylidene-5-(phenylsulfinyl)pentanoate

Systemtic Name: methyl 2,2-dimethyl-4-oxidanylidene-5-(phenylsulfinyl)pentanoate Openeye Name: methyl 5-(benzenesulfinyl)-2,2-dimethyl-4-oxo-pentanoate CAS Name: 5-(benzenesulfinyl)-2,2-dimethyl-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(benzenesulfinyl)-2,2-dimethyl-4-oxopentanoate Traditional Name: 5-(benzenesulfinyl)-4-keto-2,2-dimethyl-valeric acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-14(2,13(16)18-3)9-11(15)10-19(17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3