18-[2-azanylethyl-[18-[(E)-octadec-9-enoxy]-18-oxidanylidene-octadecyl]amino]octadecanoic acid

Systemtic Name: 18-[2-azanylethyl-[18-[(E)-octadec-9-enoxy]-18-oxidanylidene-octadecyl]amino]octadecanoic acid Openeye Name: 18-[2-aminoethyl-[18-[(E)-octadec-9-enoxy]-18-oxo-octadecyl]amino]octadecanoic acid CAS Name: 18-[2-aminoethyl-[18-[(E)-octadec-9-enoxy]-18-oxooctadecyl]amino]octadecanoic acid IUPAC Name: 18-[2-aminoethyl-[18-[(E)-octadec-9-enoxy]-18-oxooctadecyl]amino]octadecanoic acid Traditional Name: 18-[2-aminoethyl-[18-keto-18-[(E)-octadec-9-enoxy]octadecyl]amino]stearic acid Formula: C56H110N2O4 MolecularWeight: 875.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C56H110N2O4/c1-2-3-4-5-6-7-8-9-10-17-22-27-32-37-42-47-54-62-56(61)49-44-39-34-29-24-19-14-12-16-21-26-31-36-41-46-52-58(53-50-57)51-45-40-35-30-25-20-15-11-13-18-23-28-33-38-43-48-55(59)60/h9-10H,2-8,11-54,57H2,1H3,(H,59,60)/b10-9+