[(Z)-4-[26-[2,4,6-tris(iodanyl)phenoxy]hexacosanoyloxy]but-2-enyl] 26-[2,4,6-tris(iodanyl)phenoxy]hexacosanoate

Systemtic Name: [(Z)-4-[26-[2,4,6-tris(iodanyl)phenoxy]hexacosanoyloxy]but-2-enyl] 26-[2,4,6-tris(iodanyl)phenoxy]hexacosanoate Openeye Name: [(Z)-4-[26-(2,4,6-triiodophenoxy)hexacosanoyloxy]but-2-enyl] 26-(2,4,6-triiodophenoxy)hexacosanoate CAS Name: 26-(2,4,6-triiodophenoxy)hexacosanoic acid [(Z)-4-[1-oxo-26-(2,4,6-triiodophenoxy)hexacosoxy]but-2-enyl] ester IUPAC Name: [(Z)-4-[26-(2,4,6-triiodophenoxy)hexacosanoyloxy]but-2-enyl] 26-(2,4,6-triiodophenoxy)hexacosanoate Traditional Name: 26-(2,4,6-triiodophenoxy)cerotic acid [(Z)-4-[26-(2,4,6-triiodophenoxy)hexacosanoyloxy]but-2-enyl] ester Formula: C68H110I6O6 MolecularWeight: 1785.02422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC=CCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCOC2=C(C=C(C=C2I)I)I)I)I

Isomeric SMILES

C1=C(C=C(C(=C1I)OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC/C=C\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCOC2=C(C=C(C=C2I)I)I)I)I

InChI

InChI=1S/C68H110I6O6/c69-59-55-61(71)67(62(72)56-59)79-53-45-41-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-43-49-65(75)77-51-47-48-52-78-66(76)50-44-40-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-42-46-54-80-68-63(73)57-60(70)58-64(68)74/h47-48,55-58H,1-46,49-54H2/b48-47-