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

Systemtic Name: 18-[2-azanylethyl-(18-octoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-octoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-octoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-octoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-keto-18-octoxy-octadecyl)amino]stearic acid Formula: C46H92N2O4 MolecularWeight: 737.23368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C46H92N2O4/c1-2-3-4-5-32-37-44-52-46(51)39-34-29-25-21-17-13-9-7-11-15-19-23-27-31-36-42-48(43-40-47)41-35-30-26-22-18-14-10-6-8-12-16-20-24-28-33-38-45(49)50/h2-44,47H2,1H3,(H,49,50)