3-[(E)-12-oxidanyloctadec-9-enoyl]oxypropyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 3-[(E)-12-oxidanyloctadec-9-enoyl]oxypropyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 3-[(E)-12-hydroxyoctadec-9-enoyl]oxypropyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 3-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]propyl ester IUPAC Name: 3-[(E)-12-hydroxyoctadec-9-enoyl]oxypropyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 3-[(E)-12-hydroxyoctadec-9-enoyl]oxypropyl ester Formula: C39H72O6 MolecularWeight: 636.98538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CC(O)CCCCCC

InChI

InChI=1S/C39H72O6/c1-3-5-7-21-28-36(40)30-23-17-13-9-11-15-19-25-32-38(42)44-34-27-35-45-39(43)33-26-20-16-12-10-14-18-24-31-37(41)29-22-8-6-4-2/h17-18,23-24,36-37,40-41H,3-16,19-22,25-35H2,1-2H3/b23-17+,24-18+