[3-(12-oxidanyloctadecanoyloxy)-2,2-bis(12-oxidanyloctadecanoyloxymethyl)propyl] 12-oxidanyloctadecanoate

Systemtic Name: [3-(12-oxidanyloctadecanoyloxy)-2,2-bis(12-oxidanyloctadecanoyloxymethyl)propyl] 12-oxidanyloctadecanoate Openeye Name: [3-(12-hydroxyoctadecanoyloxy)-2,2-bis(12-hydroxyoctadecanoyloxymethyl)propyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [3-(12-hydroxy-1-oxooctadecoxy)-2,2-bis[(12-hydroxy-1-oxooctadecoxy)methyl]propyl] ester IUPAC Name: [3-(12-hydroxyoctadecanoyloxy)-2,2-bis(12-hydroxyoctadecanoyloxymethyl)propyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid [3-(12-hydroxyoctadecanoyloxy)-2,2-bis(12-hydroxyoctadecanoyloxymethyl)propyl] ester Formula: C77H148O12 MolecularWeight: 1265.99182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C77H148O12/c1-5-9-13-41-53-69(78)57-45-33-25-17-21-29-37-49-61-73(82)86-65-77(66-87-74(83)62-50-38-30-22-18-26-34-46-58-70(79)54-42-14-10-6-2,67-88-75(84)63-51-39-31-23-19-27-35-47-59-71(80)55-43-15-11-7-3)68-89-76(85)64-52-40-32-24-20-28-36-48-60-72(81)56-44-16-12-8-4/h69-72,78-81H,5-68H2,1-4H3