(3-decanoyloxy-2-hexadecanoyloxy-propyl) (E)-docos-13-enoate

Systemtic Name: (3-decanoyloxy-2-hexadecanoyloxy-propyl) (E)-docos-13-enoate Openeye Name: (3-decanoyloxy-2-hexadecanoyloxy-propyl) (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [3-(1-oxodecoxy)-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: (3-decanoyloxy-2-hexadecanoyloxypropyl) (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid (3-capryloxy-2-hexadecanoyloxy-propyl) ester Formula: C51H96O6 MolecularWeight: 805.30434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C51H96O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-29-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-15-12-9-6-3)57-51(54)45-42-39-36-33-31-28-21-19-17-14-11-8-5-2/h22-23,48H,4-21,24-47H2,1-3H3/b23-22+