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

Systemtic Name: 18-[2-azanylethyl-(18-hexadecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-hexadecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-hexadecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-hexadecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-cetyloxy-18-keto-octadecyl)amino]stearic acid Formula: C54H108N2O4 MolecularWeight: 849.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C54H108N2O4/c1-2-3-4-5-6-7-8-9-20-25-30-35-40-45-52-60-54(59)47-42-37-32-27-22-17-13-11-15-19-24-29-34-39-44-50-56(51-48-55)49-43-38-33-28-23-18-14-10-12-16-21-26-31-36-41-46-53(57)58/h2-52,55H2,1H3,(H,57,58)