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

Systemtic Name: 18-[2-azanylpropyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-hydroxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-hydroxy-18-keto-octadecyl)amino]stearic acid Formula: C39H78N2O4 MolecularWeight: 639.04762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O)N

Isomeric SMILES

CC(CN(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCC(=O)O)N

InChI

InChI=1S/C39H78N2O4/c1-37(40)36-41(34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-38(42)43)35-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-33-39(44)45/h37H,2-36,40H2,1H3,(H,42,43)(H,44,45)