[2-(3-heptadecanoyloxy-4-octadecanoyloxy-5-oxidanylidene-2H-furan-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate

Systemtic Name: [2-(3-heptadecanoyloxy-4-octadecanoyloxy-5-oxidanylidene-2H-furan-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate Openeye Name: [2-(3-heptadecanoyloxy-4-octadecanoyloxy-5-oxo-2H-furan-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate CAS Name: octadecanoic acid [2-(1-oxooctadecoxy)-2-[5-oxo-3-(1-oxoheptadecoxy)-4-(1-oxooctadecoxy)-2H-furan-2-yl]ethyl] ester IUPAC Name: [2-(3-heptadecanoyloxy-4-octadecanoyloxy-5-oxo-2H-furan-2-yl)-2-octadecanoyloxyethyl] octadecanoate Traditional Name: stearic acid [2-(3-heptadecanoyloxy-5-keto-4-stearoyloxy-2H-furan-2-yl)-2-stearoyloxy-ethyl] ester Formula: C77H142O10 MolecularWeight: 1227.94538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C77H142O10/c1-5-9-13-17-21-25-29-33-37-41-44-48-52-56-60-64-70(78)83-68-69(84-71(79)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2)74-75(85-72(80)66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)76(77(82)87-74)86-73(81)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h69,74H,5-68H2,1-4H3