1-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-hydroxy-3,5-diiodo-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-hydroxy-3,5-diiodo-benzoyl)isonipecotic acid Formula: C13H13I2NO4 MolecularWeight: 501.05556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=CC(=C2O)I)I

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=CC(=C2O)I)I

InChI

InChI=1S/C13H13I2NO4/c14-8-5-9(11(17)10(15)6-8)12(18)16-3-1-7(2-4-16)13(19)20/h5-7,17H,1-4H2,(H,19,20)