4-oxidanylidene-4-[propyl-[2,4,6-tris(iodanyl)-3-oxidanyl-phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[propyl-[2,4,6-tris(iodanyl)-3-oxidanyl-phenyl]amino]butanoic acid Openeye Name: 4-(3-hydroxy-2,4,6-triiodo-N-propyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(3-hydroxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid IUPAC Name: 4-(3-hydroxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid Traditional Name: 4-(3-hydroxy-2,4,6-triiodo-N-propyl-anilino)-4-keto-butyric acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO4/c1-2-5-17(9(18)3-4-10(19)20)12-7(14)6-8(15)13(21)11(12)16/h6,21H,2-5H2,1H3,(H,19,20)