[2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(5,5-diethoxypentylperoxy)-3-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(5,5-diethoxypentyldioxy)-3-hexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(5,5-diethoxypentylperoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-cetyloxy-2-(5,5-diethoxypentylperoxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H70NO9P MolecularWeight: 655.883961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OOCCCCC(OCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OOCCCCC(OCC)OCC

InChI

InChI=1S/C33H70NO9P/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-27-37-30-32(31-42-44(35,36)41-29-26-34(4,5)6)43-40-28-24-22-25-33(38-8-2)39-9-3/h32-33H,7-31H2,1-6H3