2-[2,4,6-tris(iodanyl)-3-octoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2,4,6-tris(iodanyl)-3-octoxy-phenoxy]ethanoic acid Openeye Name: 2-(2,4,6-triiodo-3-octoxy-phenoxy)acetic acid CAS Name: 2-(2,4,6-triiodo-3-octoxyphenoxy)acetic acid IUPAC Name: 2-(2,4,6-triiodo-3-octoxyphenoxy)acetic acid Traditional Name: 2-(2,4,6-triiodo-3-octoxy-phenoxy)acetic acid Formula: C16H21I3O4 MolecularWeight: 658.04895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1I)OCC(=O)O)I)I

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1I)OCC(=O)O)I)I

InChI

InChI=1S/C16H21I3O4/c1-2-3-4-5-6-7-8-22-15-11(17)9-12(18)16(14(15)19)23-10-13(20)21/h9H,2-8,10H2,1H3,(H,20,21)