sodium 4-[3-aminocarbonyl-2,4,6-tris(iodanyl)phenoxy]butanoic acid

Systemtic Name: sodium 4-[3-aminocarbonyl-2,4,6-tris(iodanyl)phenoxy]butanoic acid Openeye Name: sodium 4-(3-carbamoyl-2,4,6-triiodo-phenoxy)butanoic acid CAS Name: sodium 4-(3-carbamoyl-2,4,6-triiodophenoxy)butanoic acid IUPAC Name: sodium 4-(3-carbamoyl-2,4,6-triiodophenoxy)butanoic acid Traditional Name: sodium 4-(3-carbamoyl-2,4,6-triiodo-phenoxy)butyric acid Formula: C11H10I3NNaO4+ MolecularWeight: 623.90458

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)OCCCC(=O)O)I)C(=O)N)I.[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1I)OCCCC(=O)O)I)C(=O)N)I.[Na+]

InChI

InChI=1S/C11H10I3NO4.Na/c12-5-4-6(13)10(9(14)8(5)11(15)18)19-3-1-2-7(16)17;/h4H,1-3H2,(H2,15,18)(H,16,17);/q;+1