azanium 2,3-di(octadecanoyloxy)propyl octadecanoate ethanoate

Systemtic Name: azanium 2,3-di(octadecanoyloxy)propyl octadecanoate ethanoate Openeye Name: ammonium 2,3-di(octadecanoyloxy)propyl octadecanoate acetate CAS Name: ammonium octadecanoic acid 2,3-bis(1-oxooctadecoxy)propyl ester acetate IUPAC Name: azanium 2,3-di(octadecanoyloxy)propyl octadecanoate acetate Traditional Name: ammonium stearic acid 2,3-distearoyloxypropyl ester acetate Formula: C59H117NO8 MolecularWeight: 968.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-].[NH4+]

InChI

InChI=1S/C57H110O6.C2H4O2.H3N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-2(3)4;/h54H,4-53H2,1-3H3;1H3,(H,3,4);1H3