12-[2-azanylpropyl-(12-octoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid

Systemtic Name: 12-[2-azanylpropyl-(12-octoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminopropyl-(12-octoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminopropyl-(12-octoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminopropyl-(12-octoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminopropyl-(12-keto-12-octoxy-dodecyl)amino]lauric acid Formula: C35H70N2O4 MolecularWeight: 582.9413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C35H70N2O4/c1-3-4-5-6-21-26-31-41-35(40)28-23-18-14-10-8-12-16-20-25-30-37(32-33(2)36)29-24-19-15-11-7-9-13-17-22-27-34(38)39/h33H,3-32,36H2,1-2H3,(H,38,39)