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

Systemtic Name: 18-[2-azanylpropyl-(18-octadecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-octadecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-octadecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-octadecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-keto-18-stearyloxy-octadecyl)amino]stearic acid Formula: C57H114N2O4 MolecularWeight: 891.52606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H114N2O4/c1-3-4-5-6-7-8-9-10-11-18-23-28-33-38-43-48-53-63-57(62)50-45-40-35-30-25-20-15-13-17-22-27-32-37-42-47-52-59(54-55(2)58)51-46-41-36-31-26-21-16-12-14-19-24-29-34-39-44-49-56(60)61/h55H,3-54,58H2,1-2H3,(H,60,61)