6-[(E)-12-[6-[(E)-12-oxidanyloctadec-9-enoyl]oxyhexanoyloxy]octadec-9-enoyl]oxyhexanoic acid

Systemtic Name: 6-[(E)-12-[6-[(E)-12-oxidanyloctadec-9-enoyl]oxyhexanoyloxy]octadec-9-enoyl]oxyhexanoic acid Openeye Name: 6-[(E)-12-[6-[(E)-12-hydroxyoctadec-9-enoyl]oxyhexanoyloxy]octadec-9-enoyl]oxyhexanoic acid CAS Name: 6-[(E)-12-[6-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]-1-oxohexoxy]-1-oxooctadec-9-enoxy]hexanoic acid IUPAC Name: 6-[(E)-12-[6-[(E)-12-hydroxyoctadec-9-enoyl]oxyhexanoyloxy]octadec-9-enoyl]oxyhexanoic acid Traditional Name: 6-[(E)-12-[6-[(E)-12-hydroxyoctadec-9-enoyl]oxyhexanoyloxy]octadec-9-enoyl]oxyhexanoic acid Formula: C48H86O9 MolecularWeight: 807.19104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCCCC(=O)OC(CCCCCC)CC=CCCCCCCCC(=O)OCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCCCC(=O)OC(CCCCCC)C/C=C/CCCCCCCC(=O)OCCCCCC(=O)O)O

InChI

InChI=1S/C48H86O9/c1-3-5-7-23-33-43(49)34-24-17-13-9-11-15-19-28-39-47(53)56-42-32-22-30-40-48(54)57-44(35-25-8-6-4-2)36-26-18-14-10-12-16-20-29-38-46(52)55-41-31-21-27-37-45(50)51/h17-18,24,26,43-44,49H,3-16,19-23,25,27-42H2,1-2H3,(H,50,51)/b24-17+,26-18+