[2-acetyloxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-acetyloxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-acetoxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-acetyloxy-3-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [2-acetyloxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-acetoxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C41H72O6 MolecularWeight: 661.00678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)OC(=O)C

InChI

InChI=1S/C41H72O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-36-39(47-38(3)42)37-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12,14,18-21,39H,4-11,13,15-17,22-37H2,1-3H3/b14-12+,20-18+,21-19+