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

Systemtic Name: 18-[2-azanylpropyl-[18-[(E)-octadec-9-enoxy]-18-oxidanylidene-octadecyl]amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-[18-[(E)-octadec-9-enoxy]-18-oxo-octadecyl]amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-[18-[(E)-octadec-9-enoxy]-18-oxooctadecyl]amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-[18-[(E)-octadec-9-enoxy]-18-oxooctadecyl]amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-[18-keto-18-[(E)-octadec-9-enoxy]octadecyl]amino]stearic acid Formula: C57H112N2O4 MolecularWeight: 889.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C57H112N2O4/c1-3-4-5-6-7-8-9-10-11-18-23-28-33-38-43-48-53-63-57(62)50-45-40-35-30-25-20-15-13-17-22-27-32-37-42-47-52-59(54-55(2)58)51-46-41-36-31-26-21-16-12-14-19-24-29-34-39-44-49-56(60)61/h10-11,55H,3-9,12-54,58H2,1-2H3,(H,60,61)/b11-10+