13-[2,4,6-tris(iodanyl)phenoxy]tridecanoic acid

Systemtic Name: 13-[2,4,6-tris(iodanyl)phenoxy]tridecanoic acid Openeye Name: 13-(2,4,6-triiodophenoxy)tridecanoic acid CAS Name: 13-(2,4,6-triiodophenoxy)tridecanoic acid IUPAC Name: 13-(2,4,6-triiodophenoxy)tridecanoic acid Traditional Name: 13-(2,4,6-triiodophenoxy)tridecanoic acid Formula: C19H27I3O3 MolecularWeight: 684.12929

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)OCCCCCCCCCCCCC(=O)O)I)I

Isomeric SMILES

C1=C(C=C(C(=C1I)OCCCCCCCCCCCCC(=O)O)I)I

InChI

InChI=1S/C19H27I3O3/c20-15-13-16(21)19(17(22)14-15)25-12-10-8-6-4-2-1-3-5-7-9-11-18(23)24/h13-14H,1-12H2,(H,23,24)