2-[(1R,3S)-2-oxidanylidene-3-phenyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1R,3S)-2-oxidanylidene-3-phenyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(1R,3S)-2-oxo-3-phenyl-cyclohexyl]acetic acid CAS Name: 2-[(1R,3S)-2-oxo-3-phenylcyclohexyl]acetic acid IUPAC Name: 2-[(1R,3S)-2-oxo-3-phenylcyclohexyl]acetic acid Traditional Name: 2-[(1R,3S)-2-keto-3-phenyl-cyclohexyl]acetic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(14(11)17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m1/s1