methyl (2S)-2-oxidanyl-4-oxidanylidene-2-(phenylmethyl)hexanoate

Systemtic Name: methyl (2S)-2-oxidanyl-4-oxidanylidene-2-(phenylmethyl)hexanoate Openeye Name: methyl (2S)-2-benzyl-2-hydroxy-4-oxo-hexanoate CAS Name: (2S)-2-hydroxy-4-oxo-2-(phenylmethyl)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzyl-2-hydroxy-4-oxohexanoate Traditional Name: (2S)-2-benzyl-2-hydroxy-4-keto-hexanoic acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(CC1=CC=CC=C1)(C(=O)OC)O

Isomeric SMILES

CCC(=O)C[C@@](CC1=CC=CC=C1)(C(=O)OC)O

InChI

InChI=1S/C14H18O4/c1-3-12(15)10-14(17,13(16)18-2)9-11-7-5-4-6-8-11/h4-8,17H,3,9-10H2,1-2H3/t14-/m0/s1