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

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-dodecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-dodecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-dodecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-dodecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-keto-18-lauryloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C51H98N2O4 MolecularWeight: 803.33482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H98N2O4/c1-3-4-5-6-7-8-27-32-37-42-47-57-51(56)44-39-34-29-24-20-16-12-10-14-18-22-26-31-36-41-46-53(48-49(2)52)45-40-35-30-25-21-17-13-9-11-15-19-23-28-33-38-43-50(54)55/h9-12,49H,3-8,13-48,52H2,1-2H3,(H,54,55)/b11-9+,12-10+