tris(2-octadecanoyloxyethyl)azanium ethanoate

Systemtic Name: tris(2-octadecanoyloxyethyl)azanium ethanoate Openeye Name: tris(2-octadecanoyloxyethyl)ammonium acetate CAS Name: tris[2-(1-oxooctadecoxy)ethyl]ammonium acetate IUPAC Name: tris(2-octadecanoyloxyethyl)azanium acetate Traditional Name: tris(2-stearoyloxyethyl)ammonium acetate Formula: C62H121NO8 MolecularWeight: 1008.62604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C60H117NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h4-57H2,1-3H3;1H3,(H,3,4)