[3-[4-(aminomethylamino)-4-oxidanylidene-butanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[4-(aminomethylamino)-4-oxidanylidene-butanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[4-(aminomethylamino)-4-oxo-butanoyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[4-(aminomethylamino)-1,4-dioxobutoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[4-(aminomethylamino)-4-oxobutanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[4-(aminomethylamino)-4-keto-butanoyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C40H76N2O7 MolecularWeight: 697.04064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(=O)NCN)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(=O)NCN)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H76N2O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(44)47-33-36(34-48-39(45)32-31-37(43)42-35-41)49-40(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-35,41H2,1-2H3,(H,42,43)