4-[2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-hydroxy-3,5-diiodo-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-hydroxy-3,5-diiodophenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-hydroxy-3,5-diiodophenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-hydroxy-3,5-diiodo-phenyl)ethylamino]-4-keto-butyric acid Formula: C12H13I2NO4 MolecularWeight: 489.04486

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)O)I)CCNC(=O)CCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1I)O)I)CCNC(=O)CCC(=O)O

InChI

InChI=1S/C12H13I2NO4/c13-8-5-7(6-9(14)12(8)19)3-4-15-10(16)1-2-11(17)18/h5-6,19H,1-4H2,(H,15,16)(H,17,18)