4-[(1R,2S)-2-carboxylatocyclohexyl]carbonylbenzoate

Systemtic Name: 4-[(1R,2S)-2-carboxylatocyclohexyl]carbonylbenzoate Openeye Name: 4-[(1R,2S)-2-carboxylatocyclohexanecarbonyl]benzoate CAS Name: 4-[[(1R,2S)-2-carboxylatocyclohexyl]-oxomethyl]benzoate IUPAC Name: 4-[(1R,2S)-2-carboxylatocyclohexanecarbonyl]benzoate Traditional Name: 4-[(1R,2S)-2-carboxylatocyclohexanecarbonyl]benzoate Formula: C15H14O5-2 MolecularWeight: 274.26866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)C2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5/c16-13(9-5-7-10(8-6-9)14(17)18)11-3-1-2-4-12(11)15(19)20/h5-8,11-12H,1-4H2,(H,17,18)(H,19,20)/p-2/t11-,12+/m1/s1