18-[2-azanylpropyl-(18-oxidanidyl-18-oxidanylidene-octadecyl)amino]octadecanoate

Systemtic Name: 18-[2-azanylpropyl-(18-oxidanidyl-18-oxidanylidene-octadecyl)amino]octadecanoate Openeye Name: 18-[2-aminopropyl-(18-oxido-18-oxo-octadecyl)amino]octadecanoate CAS Name: 18-[2-aminopropyl-(18-oxido-18-oxooctadecyl)amino]octadecanoate IUPAC Name: 18-[2-aminopropyl-(18-oxido-18-oxooctadecyl)amino]octadecanoate Traditional Name: 18-[2-aminopropyl-(18-keto-18-oxido-octadecyl)amino]stearate Formula: C39H76N2O4-2 MolecularWeight: 637.03174

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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)/p-2