[(E)-18-(hexadecanoylamino)-19-oxidanyl-16-oxidanylidene-tetratriacont-20-en-17-yl] hexadecanoate

Systemtic Name: [(E)-18-(hexadecanoylamino)-19-oxidanyl-16-oxidanylidene-tetratriacont-20-en-17-yl] hexadecanoate Openeye Name: [(E)-1-hexadecanoyl-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-19-hydroxy-16-oxo-18-(1-oxohexadecylamino)tetratriacont-20-en-17-yl] ester IUPAC Name: [(E)-18-(hexadecanoylamino)-19-hydroxy-16-oxotetratriacont-20-en-17-yl] hexadecanoate Traditional Name: palmitic acid [(E)-1-hexadecanoyl-3-hydroxy-2-palmitamido-octadec-4-enyl] ester Formula: C66H127NO5 MolecularWeight: 1014.71828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(C=CCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C66H127NO5/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61(68)65(67-63(70)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)66(62(69)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)72-64(71)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h53,57,61,65-66,68H,5-52,54-56,58-60H2,1-4H3,(H,67,70)/b57-53+