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

Systemtic Name: 4-oxidanylidene-4-[propyl-[2,4,6-tris(iodanyl)-3-methoxy-phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-(2,4,6-triiodo-3-methoxy-N-propyl-anilino)butanoic acid CAS Name: 4-oxo-4-(2,4,6-triiodo-3-methoxy-N-propylanilino)butanoic acid IUPAC Name: 4-oxo-4-(2,4,6-triiodo-3-methoxy-N-propylanilino)butanoic acid Traditional Name: 4-keto-4-(2,4,6-triiodo-3-methoxy-N-propyl-anilino)butyric acid Formula: C14H16I3NO4 MolecularWeight: 642.99455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16I3NO4/c1-3-6-18(10(19)4-5-11(20)21)13-8(15)7-9(16)14(22-2)12(13)17/h7H,3-6H2,1-2H3,(H,20,21)