(2-acetyloxy-1-octadecanoyloxy-propyl) octadecanoate; trimethylazanium

Systemtic Name: (2-acetyloxy-1-octadecanoyloxy-propyl) octadecanoate; trimethylazanium Openeye Name: (2-acetoxy-1-octadecanoyloxy-propyl) octadecanoate; trimethylammonium CAS Name: octadecanoic acid [2-acetyloxy-1-(1-oxooctadecoxy)propyl] ester; trimethylammonium IUPAC Name: (2-acetyloxy-1-octadecanoyloxypropyl) octadecanoate; trimethylazanium Traditional Name: stearic acid (2-acetoxy-1-stearoyloxy-propyl) ester; trimethylammonium Formula: C44H88NO6+ MolecularWeight: 727.17262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(C)OC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC.C[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(C)OC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC.C[NH+](C)C

InChI

InChI=1S/C41H78O6.C3H9N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)46-41(37(3)45-38(4)42)47-40(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4(2)3/h37,41H,5-36H2,1-4H3;1-3H3/p+1