(1-acetyloxy-3-hexadecanoyloxy-propan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Systemtic Name: (1-acetyloxy-3-hexadecanoyloxy-propan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Openeye Name: [1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [1-acetyloxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: (1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Traditional Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] ester Formula: C39H68O6 MolecularWeight: 632.95362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCC=CCC=CCC=CCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C39H68O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,37H,4-5,7,9-11,13,15-17,20-35H2,1-3H3/b8-6-,14-12-,19-18-