(2-acetyloxy-3-octadecanoyloxy-propyl) octadecanoate; trimethylazanium

Systemtic Name: (2-acetyloxy-3-octadecanoyloxy-propyl) octadecanoate; trimethylazanium Openeye Name: (2-acetoxy-3-octadecanoyloxy-propyl) octadecanoate; trimethylammonium CAS Name: octadecanoic acid [2-acetyloxy-3-(1-oxooctadecoxy)propyl] ester; trimethylammonium IUPAC Name: (2-acetyloxy-3-octadecanoyloxypropyl) octadecanoate; trimethylazanium Traditional Name: stearic acid (2-acetoxy-3-stearoyloxy-propyl) ester; trimethylammonium Formula: C44H88NO6+ MolecularWeight: 727.17262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H78O6.C3H9N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-36-39(47-38(3)42)37-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4(2)3/h39H,4-37H2,1-3H3;1-3H3/p+1