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

Systemtic Name: 4-oxidanylidene-4-[propyl-[2,4,6-tris(iodanyl)-3-propoxy-phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-(2,4,6-triiodo-3-propoxy-N-propyl-anilino)butanoic acid CAS Name: 4-oxo-4-(2,4,6-triiodo-3-propoxy-N-propylanilino)butanoic acid IUPAC Name: 4-oxo-4-(2,4,6-triiodo-3-propoxy-N-propylanilino)butanoic acid Traditional Name: 4-keto-4-(2,4,6-triiodo-3-propoxy-N-propyl-anilino)butyric acid Formula: C16H20I3NO4 MolecularWeight: 671.04771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20I3NO4/c1-3-7-20(12(21)5-6-13(22)23)15-10(17)9-11(18)16(14(15)19)24-8-4-2/h9H,3-8H2,1-2H3,(H,22,23)