[2-hexadecanoyloxy-3-[15-(4-iodophenyl)pentadecanoyloxy]propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[15-(4-iodophenyl)pentadecanoyloxy]propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-[15-(4-iodophenyl)pentadecanoyloxy]propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[15-(4-iodophenyl)-1-oxopentadecoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-[15-(4-iodophenyl)pentadecanoyloxy]propyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-[15-(4-iodophenyl)pentadecanoyloxy]propyl] ester Formula: C56H99IO6 MolecularWeight: 995.28613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC1=CC=C(C=C1)I)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC1=CC=C(C=C1)I)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C56H99IO6/c1-3-5-7-9-11-13-15-17-22-26-30-34-38-42-54(58)61-49-53(63-56(60)44-40-36-32-28-24-18-16-14-12-10-8-6-4-2)50-62-55(59)43-39-35-31-27-23-20-19-21-25-29-33-37-41-51-45-47-52(57)48-46-51/h45-48,53H,3-44,49-50H2,1-2H3