tris[(9E,12E)-octadeca-9,12-dienoyl]azanium chloride

Systemtic Name: tris[(9E,12E)-octadeca-9,12-dienoyl]azanium chloride Openeye Name: tris[(9E,12E)-octadeca-9,12-dienoyl]ammonium chloride CAS Name: tris[(9E,12E)-1-oxooctadeca-9,12-dienyl]ammonium chloride IUPAC Name: tris[(9E,12E)-octadeca-9,12-dienoyl]azanium chloride Traditional Name: tris[(9E,12E)-octadeca-9,12-dienoyl]ammonium chloride Formula: C54H94ClNO3 MolecularWeight: 840.78206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[NH+](C(=O)CCCCCCCC=CCC=CCCCCC)C(=O)CCCCCCCC=CCC=CCCCCC.[Cl-]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)[NH+](C(=O)CCCCCCC/C=C/C/C=C/CCCCC)C(=O)CCCCCCC/C=C/C/C=C/CCCCC.[Cl-]

InChI

InChI=1S/C54H93NO3.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(56)55(53(57)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(58)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h16-21,25-30H,4-15,22-24,31-51H2,1-3H3;1H/b19-16+,20-17+,21-18+,28-25+,29-26+,30-27+;