(9E,12E,15E)-N-[2-(2-azanylethylamino)ethyl]octadeca-9,12,15-trienamide; ethanoic acid

Systemtic Name: (9E,12E,15E)-N-[2-(2-azanylethylamino)ethyl]octadeca-9,12,15-trienamide; ethanoic acid Openeye Name: acetic acid; (9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide CAS Name: acetic acid; (9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide IUPAC Name: acetic acid; (9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide Traditional Name: acetic acid; (9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide Formula: C24H45N3O3 MolecularWeight: 423.6324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCN.CC(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCN.CC(=O)O

InChI

InChI=1S/C22H41N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)/b4-3+,7-6+,10-9+;