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

Systemtic Name: 4-[[3-ethoxy-2,4,6-tris(iodanyl)phenyl]-propyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-ethoxy-2,4,6-triiodo-N-propyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(3-ethoxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid IUPAC Name: 4-(3-ethoxy-2,4,6-triiodo-N-propylanilino)-4-oxobutanoic acid Traditional Name: 4-(3-ethoxy-2,4,6-triiodo-N-propyl-anilino)-4-keto-butyric acid Formula: C15H18I3NO4 MolecularWeight: 657.02113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO4/c1-3-7-19(11(20)5-6-12(21)22)14-9(16)8-10(17)15(13(14)18)23-4-2/h8H,3-7H2,1-2H3,(H,21,22)