[2-[1,1-di(hexadecanoyloxy)-2-oxidanyl-ethyl]-2-hexadecanoyloxy-3-hexadecanoylperoxy-4-oxidanyl-oxolan-3-yl] hexadecanoate

Systemtic Name: [2-[1,1-di(hexadecanoyloxy)-2-oxidanyl-ethyl]-2-hexadecanoyloxy-3-hexadecanoylperoxy-4-oxidanyl-oxolan-3-yl] hexadecanoate Openeye Name: [2-[1,1-di(hexadecanoyloxy)-2-hydroxy-ethyl]-2-hexadecanoyloxy-3-hexadecanoylperoxy-4-hydroxy-tetrahydrofuran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [4-hydroxy-2-[2-hydroxy-1,1-bis(1-oxohexadecoxy)ethyl]-2-(1-oxohexadecoxy)-3-(1-oxohexadecyldioxy)-3-oxolanyl] ester IUPAC Name: [2-[1,1-di(hexadecanoyloxy)-2-hydroxyethyl]-2-hexadecanoyloxy-3-hexadecanoylperoxy-4-hydroxyoxolan-3-yl] hexadecanoate Traditional Name: palmitic acid [2-[1,1-di(hexadecanoyloxy)-2-hydroxy-ethyl]-2-hexadecanoyloxy-3-hexadecanoylperoxy-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C86H162O14 MolecularWeight: 1420.19808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1(C(COC1(C(CO)(OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OOC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1(C(COC1(C(CO)(OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OOC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C86H162O14/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-79(89)95-84(77-87,96-80(90)72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)86(98-82(92)74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)85(78(88)76-94-86,97-81(91)73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)100-99-83(93)75-70-65-60-55-50-45-40-35-30-25-20-15-10-5/h78,87-88H,6-77H2,1-5H3