[2-[1,1-di(octadecanoyloxy)-2-oxidanyl-ethyl]-2-octadecanoyloxy-3-octadecanoylperoxy-4-oxidanyl-oxolan-3-yl] octadecanoate

Systemtic Name: [2-[1,1-di(octadecanoyloxy)-2-oxidanyl-ethyl]-2-octadecanoyloxy-3-octadecanoylperoxy-4-oxidanyl-oxolan-3-yl] octadecanoate Openeye Name: [4-hydroxy-2-[2-hydroxy-1,1-di(octadecanoyloxy)ethyl]-2-octadecanoyloxy-3-octadecanoylperoxy-tetrahydrofuran-3-yl] octadecanoate CAS Name: octadecanoic acid [4-hydroxy-2-[2-hydroxy-1,1-bis(1-oxooctadecoxy)ethyl]-2-(1-oxooctadecoxy)-3-(1-oxooctadecyldioxy)-3-oxolanyl] ester IUPAC Name: [4-hydroxy-2-[2-hydroxy-1,1-di(octadecanoyloxy)ethyl]-2-octadecanoyloxy-3-octadecanoylperoxyoxolan-3-yl] octadecanoate Traditional Name: stearic acid [4-hydroxy-2-(2-hydroxy-1,1-distearoyloxy-ethyl)-2-stearoyloxy-3-stearoylperoxy-tetrahydrofuran-3-yl] ester Formula: C96H182O14 MolecularWeight: 1560.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1(C(COC1(C(CO)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OOC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1(C(COC1(C(CO)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OOC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C96H182O14/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-89(99)105-94(87-97,106-90(100)82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)96(108-92(102)84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)95(88(98)86-104-96,107-91(101)83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)110-109-93(103)85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5/h88,97-98H,6-87H2,1-5H3