4-[(E)-12-oxidanyloctadec-9-enoyl]oxybutyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 4-[(E)-12-oxidanyloctadec-9-enoyl]oxybutyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 4-[(E)-12-hydroxyoctadec-9-enoyl]oxybutyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 4-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]butyl ester IUPAC Name: 4-[(E)-12-hydroxyoctadec-9-enoyl]oxybutyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 4-[(E)-12-hydroxyoctadec-9-enoyl]oxybutyl ester Formula: C40H74O6 MolecularWeight: 651.01196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74O6/c1-3-5-7-21-29-37(41)31-23-17-13-9-11-15-19-25-33-39(43)45-35-27-28-36-46-40(44)34-26-20-16-12-10-14-18-24-32-38(42)30-22-8-6-4-2/h17-18,23-24,37-38,41-42H,3-16,19-22,25-36H2,1-2H3/b23-17+,24-18+