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

Systemtic Name: 18-[2-azanylethyl-(18-decoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-decoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-decoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-decoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-decoxy-18-keto-octadecyl)amino]stearic acid Formula: C48H96N2O4 MolecularWeight: 765.28684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C48H96N2O4/c1-2-3-4-5-6-29-34-39-46-54-48(53)41-36-31-26-22-18-14-10-8-12-16-20-24-28-33-38-44-50(45-42-49)43-37-32-27-23-19-15-11-7-9-13-17-21-25-30-35-40-47(51)52/h2-46,49H2,1H3,(H,51,52)