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

Systemtic Name: 18-[2-azanylpropyl-(18-dodecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-dodecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-dodecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-dodecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-keto-18-lauryloxy-octadecyl)amino]stearic acid Formula: C51H102N2O4 MolecularWeight: 807.36658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H102N2O4/c1-3-4-5-6-7-8-27-32-37-42-47-57-51(56)44-39-34-29-24-20-16-12-10-14-18-22-26-31-36-41-46-53(48-49(2)52)45-40-35-30-25-21-17-13-9-11-15-19-23-28-33-38-43-50(54)55/h49H,3-48,52H2,1-2H3,(H,54,55)