methyl (3S)-3-methyl-3-oxidanyl-4-phenylsulfanyl-butanoate

Systemtic Name: methyl (3S)-3-methyl-3-oxidanyl-4-phenylsulfanyl-butanoate Openeye Name: methyl (3S)-3-hydroxy-3-methyl-4-phenylsulfanyl-butanoate CAS Name: (3S)-3-hydroxy-3-methyl-4-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-3-methyl-4-phenylsulfanylbutanoate Traditional Name: (3S)-3-hydroxy-3-methyl-4-(phenylthio)butyric acid methyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)(CSC1=CC=CC=C1)O

Isomeric SMILES

C[C@](CC(=O)OC)(CSC1=CC=CC=C1)O

InChI

InChI=1S/C12H16O3S/c1-12(14,8-11(13)15-2)9-16-10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3/t12-/m0/s1