2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethoxy]-2-(trimethylammonio)acetate CAS Name: 2-[1,3-bis(1-oxooctadecoxy)propan-2-yloxy]-2-(trimethylammonio)acetate IUPAC Name: 2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-(trimethylazaniumyl)acetate Traditional Name: 2-[2-stearoyloxy-1-(stearoyloxymethyl)ethoxy]-2-(trimethylammonio)acetate Formula: C44H85NO7 MolecularWeight: 740.1482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C44H85NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)50-38-40(52-43(44(48)49)45(3,4)5)39-51-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40,43H,6-39H2,1-5H3