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

Systemtic Name: 18-[2-azanylethyl-(18-octadecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-octadecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-octadecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-octadecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-keto-18-stearyloxy-octadecyl)amino]stearic acid Formula: C56H112N2O4 MolecularWeight: 877.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C56H112N2O4/c1-2-3-4-5-6-7-8-9-10-17-22-27-32-37-42-47-54-62-56(61)49-44-39-34-29-24-19-14-12-16-21-26-31-36-41-46-52-58(53-50-57)51-45-40-35-30-25-20-15-11-13-18-23-28-33-38-43-48-55(59)60/h2-54,57H2,1H3,(H,59,60)