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

Systemtic Name: 18-[2-azanylpropyl-(18-octoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-octoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-octoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-octoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-keto-18-octoxy-octadecyl)amino]stearic acid Formula: C47H94N2O4 MolecularWeight: 751.26026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C47H94N2O4/c1-3-4-5-6-33-38-43-53-47(52)40-35-30-26-22-18-14-10-8-12-16-20-24-28-32-37-42-49(44-45(2)48)41-36-31-27-23-19-15-11-7-9-13-17-21-25-29-34-39-46(50)51/h45H,3-44,48H2,1-2H3,(H,50,51)