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

Systemtic Name: 2-[(1S,2S)-2-(phenylcarbonyl)cyclohexyl]propanedioic acid Openeye Name: 2-[(1S,2S)-2-benzoylcyclohexyl]propanedioic acid CAS Name: 2-[(1S,2S)-2-benzoylcyclohexyl]propanedioic acid IUPAC Name: 2-[(1S,2S)-2-benzoylcyclohexyl]propanedioic acid Traditional Name: 2-[(1S,2S)-2-benzoylcyclohexyl]malonic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O5/c17-14(10-6-2-1-3-7-10)12-9-5-4-8-11(12)13(15(18)19)16(20)21/h1-3,6-7,11-13H,4-5,8-9H2,(H,18,19)(H,20,21)/t11-,12-/m0/s1