2-[2,4,6-tris(iodanyl)-3,5-bis(methylcarbamoyl)phenoxy]butanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3,5-bis(methylcarbamoyl)phenoxy]butanoic acid Openeye Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoic acid CAS Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoic acid IUPAC Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butyric acid Formula: C14H15I3N2O5 MolecularWeight: 671.99271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I

Isomeric SMILES

CCC(C(=O)O)OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I

InChI

InChI=1S/C14H15I3N2O5/c1-4-5(14(22)23)24-11-9(16)6(12(20)18-2)8(15)7(10(11)17)13(21)19-3/h5H,4H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)