[2,3,4,5-tetra(hexadecanoyloxy)-6-oxidanylidene-hexyl] hexadecanoate

Systemtic Name: [2,3,4,5-tetra(hexadecanoyloxy)-6-oxidanylidene-hexyl] hexadecanoate Openeye Name: [2,3,4,5-tetra(hexadecanoyloxy)-6-oxo-hexyl] hexadecanoate CAS Name: hexadecanoic acid [6-oxo-2,3,4,5-tetrakis(1-oxohexadecoxy)hexyl] ester IUPAC Name: [2,3,4,5-tetra(hexadecanoyloxy)-6-oxohexyl] hexadecanoate Traditional Name: palmitic acid [2,3,4,5-tetra(hexadecanoyloxy)-6-keto-hexyl] ester Formula: C86H162O11 MolecularWeight: 1372.19988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C=O)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C=O)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C86H162O11/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-80(88)93-77-79(95-82(90)73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)86(97-84(92)75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)85(96-83(91)74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)78(76-87)94-81(89)72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h76,78-79,85-86H,6-75,77H2,1-5H3