S-tert-butyl 3-oxidanylidene-3-phenyl-propanethioate

Systemtic Name: S-tert-butyl 3-oxidanylidene-3-phenyl-propanethioate Openeye Name: S-tert-butyl 3-oxo-3-phenyl-propanethioate CAS Name: 3-oxo-3-phenylpropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-oxo-3-phenylpropanethioate Traditional Name: 3-keto-3-phenyl-propanethioic acid S-tert-butyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3