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

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-octadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-octadecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-octadecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-octadecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-keto-18-stearyloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C57H110N2O4 MolecularWeight: 887.4943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H110N2O4/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/h12-15,55H,3-11,16-54,58H2,1-2H3,(H,60,61)/b14-12+,15-13+