16-[2-azanylethyl-(16-octadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylethyl-(16-octadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminoethyl-(16-octadecoxy-16-oxo-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminoethyl-(16-octadecoxy-16-oxohexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminoethyl-(16-octadecoxy-16-oxohexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminoethyl-(16-keto-16-stearyloxy-hexadecyl)amino]palmitic acid Formula: C52H104N2O4 MolecularWeight: 821.39316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C52H104N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-23-28-33-38-43-50-58-52(57)45-40-35-30-25-20-15-13-17-22-27-32-37-42-48-54(49-46-53)47-41-36-31-26-21-16-12-14-19-24-29-34-39-44-51(55)56/h2-50,53H2,1H3,(H,55,56)