18-[6-azanylhexyl-(18-oxidanidyl-18-oxidanylidene-octadecyl)amino]octadecanoate

Systemtic Name: 18-[6-azanylhexyl-(18-oxidanidyl-18-oxidanylidene-octadecyl)amino]octadecanoate Openeye Name: 18-[6-aminohexyl-(18-oxido-18-oxo-octadecyl)amino]octadecanoate CAS Name: 18-[6-aminohexyl-(18-oxido-18-oxooctadecyl)amino]octadecanoate IUPAC Name: 18-[6-aminohexyl-(18-oxido-18-oxooctadecyl)amino]octadecanoate Traditional Name: 18-[6-aminohexyl-(18-keto-18-oxido-octadecyl)amino]stearate Formula: C42H82N2O4-2 MolecularWeight: 679.11148

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)[O-])CCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)[O-])CCCCCCN

Isomeric SMILES

C(CCCCCCCCC(=O)[O-])CCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)[O-])CCCCCCN

InChI

InChI=1S/C42H84N2O4/c43-37-31-25-28-34-40-44(38-32-26-21-17-13-9-5-1-3-7-11-15-19-23-29-35-41(45)46)39-33-27-22-18-14-10-6-2-4-8-12-16-20-24-30-36-42(47)48/h1-40,43H2,(H,45,46)(H,47,48)/p-2