18-[6-azanylhexyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid

Systemtic Name: 18-[6-azanylhexyl-(18-oxidanyl-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[6-aminohexyl-(18-hydroxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[6-aminohexyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[6-aminohexyl-(18-hydroxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[6-aminohexyl-(18-hydroxy-18-keto-octadecyl)amino]stearic acid Formula: C42H84N2O4 MolecularWeight: 681.12736

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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)