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

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-oxidanylidene-18-tetradecoxy-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-oxo-18-tetradecoxy-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-oxo-18-tetradecoxyoctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-oxo-18-tetradecoxyoctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-keto-18-myristyloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C52H100N2O4 MolecularWeight: 817.3614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CCN

InChI

InChI=1S/C52H100N2O4/c1-2-3-4-5-6-7-8-23-28-33-38-43-50-58-52(57)45-40-35-30-25-20-16-12-10-14-18-22-27-32-37-42-48-54(49-46-53)47-41-36-31-26-21-17-13-9-11-15-19-24-29-34-39-44-51(55)56/h9-12H,2-8,13-50,53H2,1H3,(H,55,56)/b11-9+,12-10+