20-[2,3-di(hexadecanoyloxy)propyl-dimethyl-azaniumyl]icosanoate

Systemtic Name: 20-[2,3-di(hexadecanoyloxy)propyl-dimethyl-azaniumyl]icosanoate Openeye Name: 20-[2,3-di(hexadecanoyloxy)propyl-dimethyl-ammonio]icosanoate CAS Name: 20-[2,3-bis(1-oxohexadecoxy)propyl-dimethylammonio]eicosanoate IUPAC Name: 20-[2,3-di(hexadecanoyloxy)propyl-dimethylazaniumyl]icosanoate Traditional Name: 20-[2,3-di(hexadecanoyloxy)propyl-dimethyl-ammonio]arachidate Formula: C57H111NO6 MolecularWeight: 906.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCCCCCCCCCCCCCCCCCCC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCCCCCCCCCCCCCCCCCCC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C57H111NO6/c1-5-7-9-11-13-15-17-24-29-33-37-41-45-49-56(61)63-53-54(64-57(62)50-46-42-38-34-30-25-18-16-14-12-10-8-6-2)52-58(3,4)51-47-43-39-35-31-27-23-21-19-20-22-26-28-32-36-40-44-48-55(59)60/h54H,5-53H2,1-4H3