S-methyl 2,2-dimethyl-3-oxidanyl-3-phenyl-propanethioate

Systemtic Name: S-methyl 2,2-dimethyl-3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-methyl 3-hydroxy-2,2-dimethyl-3-phenyl-propanethioate CAS Name: 3-hydroxy-2,2-dimethyl-3-phenylpropanethioic acid S-methyl ester IUPAC Name: S-methyl 3-hydroxy-2,2-dimethyl-3-phenylpropanethioate Traditional Name: 3-hydroxy-2,2-dimethyl-3-phenyl-propanethioic acid S-methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3