2-[(1R,2S)-2-(phenylcarbonyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1R,2S)-2-(phenylcarbonyl)cyclohexyl]ethanoic acid Openeye Name: 2-[(1R,2S)-2-benzoylcyclohexyl]acetic acid CAS Name: 2-[(1R,2S)-2-benzoylcyclohexyl]acetic acid IUPAC Name: 2-[(1R,2S)-2-benzoylcyclohexyl]acetic acid Traditional Name: 2-[(1R,2S)-2-benzoylcyclohexyl]acetic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC[C@@H]([C@H](C1)CC(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18O3/c16-14(17)10-12-8-4-5-9-13(12)15(18)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)/t12-,13+/m1/s1