methyl (2S)-2-methyl-2-oxidanyl-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl (2S)-2-methyl-2-oxidanyl-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl (2S)-2-hydroxy-2-methyl-4-oxo-4-phenyl-butanoate CAS Name: (2S)-2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-methyl-4-oxo-4-phenylbutanoate Traditional Name: (2S)-2-hydroxy-4-keto-2-methyl-4-phenyl-butyric acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-12(15,11(14)16-2)8-10(13)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3/t12-/m0/s1