methyl 2,2-dimethyl-3-(4-methylsulfanylphenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl 2,2-dimethyl-3-(4-methylsulfanylphenyl)-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2,2-dimethyl-3-(4-methylsulfanylphenyl)propanoate CAS Name: 3-hydroxy-2,2-dimethyl-3-[4-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethyl-3-(4-methylsulfanylphenyl)propanoate Traditional Name: 3-hydroxy-2,2-dimethyl-3-[4-(methylthio)phenyl]propionic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-13(2,12(15)16-3)11(14)9-5-7-10(17-4)8-6-9/h5-8,11,14H,1-4H3