[3-[(E)-octadec-9-enoyl]oxy-2-[(E)-12-oxidanyloctadec-9-enoyl]oxy-propyl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [3-[(E)-octadec-9-enoyl]oxy-2-[(E)-12-oxidanyloctadec-9-enoyl]oxy-propyl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [2-[(E)-12-hydroxyoctadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [2-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-[(E)-12-hydroxyoctadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [2-[(E)-12-hydroxyoctadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C57H104O8 MolecularWeight: 917.43086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CC(CCCCCC)O)OC(=O)CCCCCCC/C=C/CC(CCCCCC)O

InChI

InChI=1S/C57H104O8/c1-4-7-10-13-14-15-16-17-18-19-20-21-28-33-40-47-55(60)63-50-54(65-57(62)49-42-35-30-25-23-27-32-39-46-53(59)44-37-12-9-6-3)51-64-56(61)48-41-34-29-24-22-26-31-38-45-52(58)43-36-11-8-5-2/h17-18,31-32,38-39,52-54,58-59H,4-16,19-30,33-37,40-51H2,1-3H3/b18-17+,38-31+,39-32+