22-[2-azanylethyl-(22-oxidanyl-22-oxidanylidene-docosyl)amino]docosanoic acid

Systemtic Name: 22-[2-azanylethyl-(22-oxidanyl-22-oxidanylidene-docosyl)amino]docosanoic acid Openeye Name: 22-[2-aminoethyl-(22-hydroxy-22-oxo-docosyl)amino]docosanoic acid CAS Name: 22-[2-aminoethyl-(22-hydroxy-22-oxodocosyl)amino]docosanoic acid IUPAC Name: 22-[2-aminoethyl-(22-hydroxy-22-oxodocosyl)amino]docosanoic acid Traditional Name: 22-[2-aminoethyl-(22-hydroxy-22-keto-docosyl)amino]behenic acid Formula: C46H92N2O4 MolecularWeight: 737.23368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C46H92N2O4/c47-41-44-48(42-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-39-45(49)50)43-38-34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-36-40-46(51)52/h1-44,47H2,(H,49,50)(H,51,52)