16-[2-azanylpropyl-[16-[(E)-octadec-9-enoxy]-16-oxidanylidene-hexadecyl]amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylpropyl-[16-[(E)-octadec-9-enoxy]-16-oxidanylidene-hexadecyl]amino]hexadecanoic acid Openeye Name: 16-[2-aminopropyl-[16-[(E)-octadec-9-enoxy]-16-oxo-hexadecyl]amino]hexadecanoic acid CAS Name: 16-[2-aminopropyl-[16-[(E)-octadec-9-enoxy]-16-oxohexadecyl]amino]hexadecanoic acid IUPAC Name: 16-[2-aminopropyl-[16-[(E)-octadec-9-enoxy]-16-oxohexadecyl]amino]hexadecanoic acid Traditional Name: 16-[2-aminopropyl-[16-keto-16-[(E)-octadec-9-enoxy]hexadecyl]amino]palmitic acid Formula: C53H104N2O4 MolecularWeight: 833.40386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C53H104N2O4/c1-3-4-5-6-7-8-9-10-11-12-19-24-29-34-39-44-49-59-53(58)46-41-36-31-26-21-16-14-18-23-28-33-38-43-48-55(50-51(2)54)47-42-37-32-27-22-17-13-15-20-25-30-35-40-45-52(56)57/h10-11,51H,3-9,12-50,54H2,1-2H3,(H,56,57)/b11-10+