[2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(2-butyl-1-oxohexoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(2-butylhexanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(2-butylhexanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C34H68NO8P MolecularWeight: 649.879381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C(CCCC)CCCC

InChI

InChI=1S/C34H68NO8P/c1-7-10-13-14-15-16-17-18-19-20-21-22-23-26-33(36)40-29-32(30-42-44(38,39)41-28-27-35(4,5)6)43-34(37)31(24-11-8-2)25-12-9-3/h31-32H,7-30H2,1-6H3