S-tert-butyl 3-oxidanyl-3-phenyl-propanethioate

Systemtic Name: S-tert-butyl 3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-tert-butyl 3-hydroxy-3-phenyl-propanethioate CAS Name: 3-hydroxy-3-phenylpropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-hydroxy-3-phenylpropanethioate Traditional Name: 3-hydroxy-3-phenyl-propanethioic acid S-tert-butyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3