21-[2,4,6-tris(iodanyl)phenoxy]henicosanoic acid

Systemtic Name: 21-[2,4,6-tris(iodanyl)phenoxy]henicosanoic acid Openeye Name: 21-(2,4,6-triiodophenoxy)henicosanoic acid CAS Name: 21-(2,4,6-triiodophenoxy)heneicosanoic acid IUPAC Name: 21-(2,4,6-triiodophenoxy)henicosanoic acid Traditional Name: 21-(2,4,6-triiodophenoxy)heneicosanoic acid Formula: C27H43I3O3 MolecularWeight: 796.34193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43I3O3/c28-23-21-24(29)27(25(30)22-23)33-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-26(31)32/h21-22H,1-20H2,(H,31,32)