[(E)-3-hexadecanoyloxy-4-methyl-1-oxidanyl-icos-11-en-2-yl] hexadecanoate

Systemtic Name: [(E)-3-hexadecanoyloxy-4-methyl-1-oxidanyl-icos-11-en-2-yl] hexadecanoate Openeye Name: [(E)-2-hexadecanoyloxy-1-(hydroxymethyl)-3-methyl-nonadec-10-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-1-hydroxy-4-methyl-3-(1-oxohexadecoxy)eicos-11-en-2-yl] ester IUPAC Name: [(E)-3-hexadecanoyloxy-1-hydroxy-4-methylicos-11-en-2-yl] hexadecanoate Traditional Name: palmitic acid [(E)-2-hexadecanoyloxy-3-methyl-1-methylol-nonadec-10-enyl] ester Formula: C53H102O5 MolecularWeight: 819.37398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(C)CCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(C)CCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H102O5/c1-5-8-11-14-17-20-23-26-29-30-33-36-39-42-45-49(4)53(58-52(56)47-44-41-38-35-32-28-25-22-19-16-13-10-7-3)50(48-54)57-51(55)46-43-40-37-34-31-27-24-21-18-15-12-9-6-2/h26,29,49-50,53-54H,5-25,27-28,30-48H2,1-4H3/b29-26+