S-tert-butyl 3-(4-methylphenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-tert-butyl 3-(4-methylphenyl)-3-oxidanyl-propanethioate Openeye Name: S-tert-butyl 3-hydroxy-3-(p-tolyl)propanethioate CAS Name: 3-hydroxy-3-(4-methylphenyl)propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-hydroxy-3-(4-methylphenyl)propanethioate Traditional Name: 3-hydroxy-3-(p-tolyl)propanethioic acid S-tert-butyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)SC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)SC(C)(C)C)O

InChI

InChI=1S/C14H20O2S/c1-10-5-7-11(8-6-10)12(15)9-13(16)17-14(2,3)4/h5-8,12,15H,9H2,1-4H3