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

Systemtic Name: 12-[2-azanylethyl-(12-octoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminoethyl-(12-octoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminoethyl-(12-octoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminoethyl-(12-octoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminoethyl-(12-keto-12-octoxy-dodecyl)amino]lauric acid Formula: C34H68N2O4 MolecularWeight: 568.91472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C34H68N2O4/c1-2-3-4-5-20-25-32-40-34(39)27-22-17-13-9-7-11-15-19-24-30-36(31-28-35)29-23-18-14-10-6-8-12-16-21-26-33(37)38/h2-32,35H2,1H3,(H,37,38)