3-[1-(2-carboxyethyl)-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1-(2-carboxyethyl)-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1-(2-carboxyethyl)-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[1-(2-carboxyethyl)-2-keto-cyclohexyl]propionic acid Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CCC(C(=O)C1)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C12H18O5/c13-9-3-1-2-6-12(9,7-4-10(14)15)8-5-11(16)17/h1-8H2,(H,14,15)(H,16,17)