[32-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-32-oxidanylidene-dotriacontyl] hexadecanoate

Systemtic Name: [32-[[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]amino]-32-oxidanylidene-dotriacontyl] hexadecanoate Openeye Name: [32-[[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]amino]-32-oxo-dotriacontyl] hexadecanoate CAS Name: hexadecanoic acid [32-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-32-oxodotriacontyl] ester IUPAC Name: [32-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-32-oxodotriacontyl] hexadecanoate Traditional Name: palmitic acid [32-[[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]amino]-32-keto-dotriacontyl] ester Formula: C66H129NO5 MolecularWeight: 1016.73416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C66H129NO5/c1-3-5-7-9-11-13-15-34-38-42-46-50-54-58-64(69)63(62-68)67-65(70)59-55-51-47-43-39-36-32-30-28-26-24-22-20-18-17-19-21-23-25-27-29-31-33-37-41-45-49-53-57-61-72-66(71)60-56-52-48-44-40-35-16-14-12-10-8-6-4-2/h54,58,63-64,68-69H,3-53,55-57,59-62H2,1-2H3,(H,67,70)/b58-54+