[3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 2-(triethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 2-(triethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 2-(triethylammonio)ethyl phosphate CAS Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] 2-(triethylammonio)ethyl phosphate IUPAC Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] 2-(triethylazaniumyl)ethyl phosphate Traditional Name: [3-cetyloxy-2-(cetyloxymethyl)-2-methyl-propyl] 2-(triethylammonio)ethyl phosphate Formula: C45H94NO6P MolecularWeight: 776.204721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H94NO6P/c1-7-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-42-45(6,44-52-53(47,48)51-41-38-46(9-3,10-4)11-5)43-50-40-37-35-33-31-29-27-25-23-21-19-17-15-13-8-2/h7-44H2,1-6H3