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

Systemtic Name: (9E,12E)-N-[2-[2-(2-azanylethylamino)ethylamino]ethyl]octadeca-9,12-dienamide; ethanoic acid Openeye Name: acetic acid; (9E,12E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide CAS Name: acetic acid; (9E,12E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide IUPAC Name: acetic acid; (9E,12E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide Traditional Name: acetic acid; (9E,12E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide Formula: C26H52N4O3 MolecularWeight: 468.71608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCN.CC(=O)O

InChI

InChI=1S/C24H48N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)/b7-6+,10-9+;