tridodecylazanium ethanoate

Systemtic Name: tridodecylazanium ethanoate Openeye Name: tridodecylammonium acetate CAS Name: tridodecylammonium acetate IUPAC Name: tridodecylazanium acetate Traditional Name: trilaurylammonium acetate Formula: C38H79NO2 MolecularWeight: 582.03936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)CCCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)CCCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C36H75N.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h4-36H2,1-3H3;1H3,(H,3,4)