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

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-oxidanylidene-18-tetradecoxy-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-oxo-18-tetradecoxy-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-oxo-18-tetradecoxyoctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-oxo-18-tetradecoxyoctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-keto-18-myristyloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C53H102N2O4 MolecularWeight: 831.38798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H102N2O4/c1-3-4-5-6-7-8-9-24-29-34-39-44-49-59-53(58)46-41-36-31-26-21-17-13-11-15-19-23-28-33-38-43-48-55(50-51(2)54)47-42-37-32-27-22-18-14-10-12-16-20-25-30-35-40-45-52(56)57/h10-13,51H,3-9,14-50,54H2,1-2H3,(H,56,57)/b12-10+,13-11+