(1R,2S)-5-oxidanylidene-2-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-5-oxidanylidene-2-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-benzyl-5-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-5-oxo-2-(phenylmethyl)-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-benzyl-5-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-benzyl-5-keto-cyclohexanecarboxylate Formula: C14H15O3- MolecularWeight: 231.2671

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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)/p-1/t11-,13+/m0/s1