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

Systemtic Name: 12-[2-azanylethyl-(12-decoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminoethyl-(12-decoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminoethyl-(12-decoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminoethyl-(12-decoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminoethyl-(12-decoxy-12-keto-dodecyl)amino]lauric acid Formula: C36H72N2O4 MolecularWeight: 596.96788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C36H72N2O4/c1-2-3-4-5-6-17-22-27-34-42-36(41)29-24-19-14-10-8-12-16-21-26-32-38(33-30-37)31-25-20-15-11-7-9-13-18-23-28-35(39)40/h2-34,37H2,1H3,(H,39,40)