(E)-18-[2-azanylpropyl-[(E)-18-hexadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-hexadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-hexadecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-hexadecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-hexadecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-cetyloxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C55H106N2O4 MolecularWeight: 859.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C55H106N2O4/c1-3-4-5-6-7-8-9-10-21-26-31-36-41-46-51-61-55(60)48-43-38-33-28-23-18-14-12-16-20-25-30-35-40-45-50-57(52-53(2)56)49-44-39-34-29-24-19-15-11-13-17-22-27-32-37-42-47-54(58)59/h11-14,53H,3-10,15-52,56H2,1-2H3,(H,58,59)/b13-11+,14-12+