methyl 4-[(1S)-1-oxidanyl-3-oxidanylidene-butyl]benzoate

Systemtic Name: methyl 4-[(1S)-1-oxidanyl-3-oxidanylidene-butyl]benzoate Openeye Name: methyl 4-[(1S)-1-hydroxy-3-oxo-butyl]benzoate CAS Name: 4-[(1S)-1-hydroxy-3-oxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S)-1-hydroxy-3-oxobutyl]benzoate Traditional Name: 4-[(1S)-1-hydroxy-3-keto-butyl]benzoic acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-8(13)7-11(14)9-3-5-10(6-4-9)12(15)16-2/h3-6,11,14H,7H2,1-2H3/t11-/m0/s1