[(E)-3-hexadecanoyloxy-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-yl] hexadecanoate

Systemtic Name: [(E)-3-hexadecanoyloxy-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-yl] hexadecanoate Openeye Name: [(E)-2-hexadecanoyloxy-1-(hydroxymethyl)-3-oxo-icos-11-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-1-hydroxy-4-oxo-3-(1-oxohexadecoxy)heneicos-12-en-2-yl] ester IUPAC Name: [(E)-3-hexadecanoyloxy-1-hydroxy-4-oxohenicos-12-en-2-yl] hexadecanoate Traditional Name: palmitic acid [(E)-2-hexadecanoyloxy-3-keto-1-methylol-eicos-11-enyl] ester Formula: C53H100O6 MolecularWeight: 833.3575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-30-33-36-39-42-45-49(55)53(59-52(57)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)50(48-54)58-51(56)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h25-26,50,53-54H,4-24,27-48H2,1-3H3/b26-25+