6-[2,3-di(hexadecanoyloxy)propyl-dimethyl-azaniumyl]hexanoate

Systemtic Name: 6-[2,3-di(hexadecanoyloxy)propyl-dimethyl-azaniumyl]hexanoate Openeye Name: 6-[2,3-di(hexadecanoyloxy)propyl-dimethyl-ammonio]hexanoate CAS Name: 6-[2,3-bis(1-oxohexadecoxy)propyl-dimethylammonio]hexanoate IUPAC Name: 6-[2,3-di(hexadecanoyloxy)propyl-dimethylazaniumyl]hexanoate Traditional Name: 6-[2,3-di(hexadecanoyloxy)propyl-dimethyl-ammonio]hexanoate Formula: C43H83NO6 MolecularWeight: 710.12222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H83NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-42(47)49-39-40(38-44(3,4)37-33-29-30-34-41(45)46)50-43(48)36-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h40H,5-39H2,1-4H3