ethyl 2-methyl-2-oxidanyl-4-oxidanylidene-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 2-methyl-2-oxidanyl-4-oxidanylidene-4-phenylsulfanyl-butanoate Openeye Name: ethyl 2-hydroxy-2-methyl-4-oxo-4-phenylsulfanyl-butanoate CAS Name: 2-hydroxy-2-methyl-4-oxo-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-methyl-4-oxo-4-phenylsulfanylbutanoate Traditional Name: 2-hydroxy-4-keto-2-methyl-4-(phenylthio)butyric acid ethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)C(C)(CC(=O)SC1=CC=CC=C1)O

InChI

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