2-[4-[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3,5-dichloro-2-iodo-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3,5-dichloro-2-iodophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3,5-dichloro-2-iodobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3,5-dichloro-2-iodo-benzoyl)piperazino]acetic acid Formula: C13H13Cl2IN2O3 MolecularWeight: 443.06439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2I)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2I)Cl)Cl

InChI

InChI=1S/C13H13Cl2IN2O3/c14-8-5-9(12(16)10(15)6-8)13(21)18-3-1-17(2-4-18)7-11(19)20/h5-6H,1-4,7H2,(H,19,20)