9-[9-[(Z)-octadec-9-enoyl]oxyoctadecanoyloxy]octadecanoic acid

Systemtic Name: 9-[9-[(Z)-octadec-9-enoyl]oxyoctadecanoyloxy]octadecanoic acid Openeye Name: 9-[9-[(Z)-octadec-9-enoyl]oxyoctadecanoyloxy]octadecanoic acid CAS Name: 9-[1-oxo-9-[(Z)-1-oxooctadec-9-enoxy]octadecoxy]octadecanoic acid IUPAC Name: 9-[9-[(Z)-octadec-9-enoyl]oxyoctadecanoyloxy]octadecanoic acid Traditional Name: 9-[9-[(Z)-octadec-9-enoyl]oxyoctadecanoyloxy]stearic acid Formula: C54H102O6 MolecularWeight: 847.38408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)O)OC(=O)CCCCCCCC(CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)O)OC(=O)CCCCCCCC(CCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C54H102O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-34-41-48-53(57)59-51(44-37-30-25-15-12-9-6-3)46-39-32-28-35-42-49-54(58)60-50(43-36-29-24-14-11-8-5-2)45-38-31-27-33-40-47-52(55)56/h19-20,50-51H,4-18,21-49H2,1-3H3,(H,55,56)/b20-19-