18-[2-azanylethyl-(18-dodecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid

Systemtic Name: 18-[2-azanylethyl-(18-dodecoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-(18-dodecoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-(18-dodecoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-(18-dodecoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-(18-keto-18-lauryloxy-octadecyl)amino]stearic acid Formula: C50H100N2O4 MolecularWeight: 793.34

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C50H100N2O4/c1-2-3-4-5-6-7-26-31-36-41-48-56-50(55)43-38-33-28-23-19-15-11-9-13-17-21-25-30-35-40-46-52(47-44-51)45-39-34-29-24-20-16-12-8-10-14-18-22-27-32-37-42-49(53)54/h2-48,51H2,1H3,(H,53,54)