[2-[3,4-bis(12-oxidanyloctadecanoyloxy)oxolan-2-yl]-2-(12-oxidanyloctadecanoyloxy)ethyl] 12-oxidanyloctadecanoate

Systemtic Name: [2-[3,4-bis(12-oxidanyloctadecanoyloxy)oxolan-2-yl]-2-(12-oxidanyloctadecanoyloxy)ethyl] 12-oxidanyloctadecanoate Openeye Name: [2-[3,4-bis(12-hydroxyoctadecanoyloxy)tetrahydrofuran-2-yl]-2-(12-hydroxyoctadecanoyloxy)ethyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [2-[3,4-bis(12-hydroxy-1-oxooctadecoxy)-2-oxolanyl]-2-(12-hydroxy-1-oxooctadecoxy)ethyl] ester IUPAC Name: [2-[3,4-bis(12-hydroxyoctadecanoyloxy)oxolan-2-yl]-2-(12-hydroxyoctadecanoyloxy)ethyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid [2-[3,4-bis(12-hydroxyoctadecanoyloxy)tetrahydrofuran-2-yl]-2-(12-hydroxyoctadecanoyloxy)ethyl] ester Formula: C78H148O13 MolecularWeight: 1294.00192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C78H148O13/c1-5-9-13-41-53-67(79)57-45-33-25-17-21-29-37-49-61-73(83)87-65-71(89-74(84)62-50-38-30-22-18-26-34-46-58-68(80)54-42-14-10-6-2)77-78(91-76(86)64-52-40-32-24-20-28-36-48-60-70(82)56-44-16-12-8-4)72(66-88-77)90-75(85)63-51-39-31-23-19-27-35-47-59-69(81)55-43-15-11-7-3/h67-72,77-82H,5-66H2,1-4H3