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

Systemtic Name: S-ethyl 2,2-dimethyl-3-oxidanyl-3-phenyl-propanethioate Openeye Name: S-ethyl 3-hydroxy-2,2-dimethyl-3-phenyl-propanethioate CAS Name: 3-hydroxy-2,2-dimethyl-3-phenylpropanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanethioate Traditional Name: 3-hydroxy-2,2-dimethyl-3-phenyl-propanethioic acid S-ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(C)(C)C(C1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)C(C)(C)C(C1=CC=CC=C1)O

InChI

InChI=1S/C13H18O2S/c1-4-16-12(15)13(2,3)11(14)10-8-6-5-7-9-10/h5-9,11,14H,4H2,1-3H3