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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1I)N(C)C(=O)CCC(=O)O)I)I

Isomeric SMILES

CCCOC1=C(C=C(C(=C1I)N(C)C(=O)CCC(=O)O)I)I

InChI

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