16-[2-azanylpropyl-(16-octadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylpropyl-(16-octadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminopropyl-(16-octadecoxy-16-oxo-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminopropyl-(16-octadecoxy-16-oxohexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminopropyl-(16-octadecoxy-16-oxohexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminopropyl-(16-keto-16-stearyloxy-hexadecyl)amino]palmitic acid Formula: C53H106N2O4 MolecularWeight: 835.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C53H106N2O4/c1-3-4-5-6-7-8-9-10-11-12-19-24-29-34-39-44-49-59-53(58)46-41-36-31-26-21-16-14-18-23-28-33-38-43-48-55(50-51(2)54)47-42-37-32-27-22-17-13-15-20-25-30-35-40-45-52(56)57/h51H,3-50,54H2,1-2H3,(H,56,57)