(1R,3S)-3-(phenylcarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1R,3S)-3-(phenylcarbonyl)cyclohexane-1-carboxylic acid Openeye Name: (1R,3S)-3-benzoylcyclohexanecarboxylic acid CAS Name: (1R,3S)-3-benzoyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3S)-3-benzoylcyclohexane-1-carboxylic acid Traditional Name: (1R,3S)-3-benzoylcyclohexanecarboxylic acid Formula: C14H16O3 MolecularWeight: 232.27504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[C@@H](C[C@@H](C1)C(=O)O)C(=O)C2=CC=CC=C2

InChI

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