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

Systemtic Name: 18-[2-azanylethyl-(18-oxidanylidene-18-tetradecoxy-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-oxo-18-tetradecoxy-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-oxo-18-tetradecoxyoctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-oxo-18-tetradecoxyoctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-keto-18-myristyloxy-octadecyl)amino]stearic acid Formula: C52H104N2O4 MolecularWeight: 821.39316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

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