(1S,2S)-5-oxidanylidene-2-(phenylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-5-oxidanylidene-2-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-benzyl-5-oxo-cyclohexanecarboxylic acid CAS Name: (1S,2S)-5-oxo-2-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-benzyl-5-oxocyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-benzyl-5-keto-cyclohexanecarboxylic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(=O)C[C@@H]([C@@H]1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16O3/c15-12-7-6-11(13(9-12)14(16)17)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)/t11-,13-/m0/s1