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

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-octoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-octoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-octoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-octoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-keto-18-octoxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C47H90N2O4 MolecularWeight: 747.2285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H90N2O4/c1-3-4-5-6-33-38-43-53-47(52)40-35-30-26-22-18-14-10-8-12-16-20-24-28-32-37-42-49(44-45(2)48)41-36-31-27-23-19-15-11-7-9-13-17-21-25-29-34-39-46(50)51/h7-10,45H,3-6,11-44,48H2,1-2H3,(H,50,51)/b9-7+,10-8+