[3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propyl] 14,16-dimethyloctadecanoate

Systemtic Name: [3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propyl] 14,16-dimethyloctadecanoate Openeye Name: [2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 14,16-dimethyloctadecanoate CAS Name: 14,16-dimethyloctadecanoic acid [2-hydroxy-3-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 14,16-dimethyloctadecanoate Traditional Name: 14,16-dimethylstearic acid [2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C41H76O5 MolecularWeight: 649.03914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)CC(C)CC)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)CC(C)CC)O

InChI

InChI=1S/C41H76O5/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-40(43)45-35-39(42)36-46-41(44)33-30-27-24-21-18-17-19-22-25-28-31-38(4)34-37(3)6-2/h10-11,13-14,37-39,42H,5-9,12,15-36H2,1-4H3/b11-10+,14-13+