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

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-octadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-octadecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-octadecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-octadecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-keto-18-stearyloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C56H108N2O4 MolecularWeight: 873.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H108N2O4/c1-2-3-4-5-6-7-8-9-10-17-22-27-32-37-42-47-54-62-56(61)49-44-39-34-29-24-19-14-12-16-21-26-31-36-41-46-52-58(53-50-57)51-45-40-35-30-25-20-15-11-13-18-23-28-33-38-43-48-55(59)60/h11-14H,2-10,15-54,57H2,1H3,(H,59,60)/b13-11+,14-12+