2-[2,3-di(octadecanoyloxy)propoxy]-2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[2,3-di(octadecanoyloxy)propoxy]-2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[2,3-di(octadecanoyloxy)propoxy]-2-(trimethylammonio)acetate CAS Name: 2-[2,3-bis(1-oxooctadecoxy)propoxy]-2-(trimethylammonio)acetate IUPAC Name: 2-[2,3-di(octadecanoyloxy)propoxy]-2-(trimethylazaniumyl)acetate Traditional Name: 2-(2,3-distearoyloxypropoxy)-2-(trimethylammonio)acetate Formula: C44H85NO7 MolecularWeight: 740.1482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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(39-51-43(44(48)49)45(3,4)5)52-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40,43H,6-39H2,1-5H3