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

Systemtic Name: 2-[4-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-hydroxy-3,5-diiodo-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-hydroxy-3,5-diiodo-benzoyl)piperazino]acetic acid Formula: C13H14I2N2O4 MolecularWeight: 516.0702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2O)I)I

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2O)I)I

InChI

InChI=1S/C13H14I2N2O4/c14-8-5-9(12(20)10(15)6-8)13(21)17-3-1-16(2-4-17)7-11(18)19/h5-6,20H,1-4,7H2,(H,18,19)