(1R,2R)-2-(4-chlorophenyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R)-2-(4-chlorophenyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: (1R,2R)-2-(4-chlorophenyl)-5-oxo-cyclohexanecarboxylic acid CAS Name: (1R,2R)-2-(4-chlorophenyl)-5-oxo-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R)-2-(4-chlorophenyl)-5-oxocyclohexane-1-carboxylic acid Traditional Name: (1R,2R)-2-(4-chlorophenyl)-5-keto-cyclohexanecarboxylic acid Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(=O)C[C@H]([C@@H]1C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClO3/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-4,11-12H,5-7H2,(H,16,17)/t11-,12+/m0/s1