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

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid Openeye Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid CAS Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid IUPAC Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid Traditional Name: 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid Formula: C16H19I3N2O5 MolecularWeight: 700.04587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19I3N2O5/c1-4-5-6-7(16(24)25)26-13-11(18)8(14(22)20-2)10(17)9(12(13)19)15(23)21-3/h7H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)