S-tert-butyl 2,3-dimethyl-5-oxidanylidene-5-phenyl-pentanethioate

Systemtic Name: S-tert-butyl 2,3-dimethyl-5-oxidanylidene-5-phenyl-pentanethioate Openeye Name: S-tert-butyl 2,3-dimethyl-5-oxo-5-phenyl-pentanethioate CAS Name: 2,3-dimethyl-5-oxo-5-phenylpentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,3-dimethyl-5-oxo-5-phenylpentanethioate Traditional Name: 5-keto-2,3-dimethyl-5-phenyl-pentanethioic acid S-tert-butyl ester Formula: C17H24O2S MolecularWeight: 292.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O2S/c1-12(13(2)16(19)20-17(3,4)5)11-15(18)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3