18-[2-azanylpropyl-(18-hexadecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid

Systemtic Name: 18-[2-azanylpropyl-(18-hexadecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-hexadecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-hexadecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-hexadecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-cetyloxy-18-keto-octadecyl)amino]stearic acid Formula: C55H110N2O4 MolecularWeight: 863.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C55H110N2O4/c1-3-4-5-6-7-8-9-10-21-26-31-36-41-46-51-61-55(60)48-43-38-33-28-23-18-14-12-16-20-25-30-35-40-45-50-57(52-53(2)56)49-44-39-34-29-24-19-15-11-13-17-22-27-32-37-42-47-54(58)59/h53H,3-52,56H2,1-2H3,(H,58,59)