3-[4-(2-carboxyethyl)-2,5-bis(oxidanylidene)cyclohexyl]propanoic acid

Systemtic Name: 3-[4-(2-carboxyethyl)-2,5-bis(oxidanylidene)cyclohexyl]propanoic acid Openeye Name: 3-[4-(2-carboxyethyl)-2,5-dioxo-cyclohexyl]propanoic acid CAS Name: 3-[4-(2-carboxyethyl)-2,5-dioxocyclohexyl]propanoic acid IUPAC Name: 3-[4-(2-carboxyethyl)-2,5-dioxocyclohexyl]propanoic acid Traditional Name: 3-[4-(2-carboxyethyl)-2,5-diketo-cyclohexyl]propionic acid Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)CC(C1=O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C(C(=O)CC(C1=O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C12H16O6/c13-9-6-8(2-4-12(17)18)10(14)5-7(9)1-3-11(15)16/h7-8H,1-6H2,(H,15,16)(H,17,18)