[3-[diphenyl-(4-propan-2-ylphenyl)methoxy]-2-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[diphenyl-(4-propan-2-ylphenyl)methoxy]-2-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-hexadecanoyloxy-3-[(4-isopropylphenyl)-diphenyl-methoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[diphenyl-(4-propan-2-ylphenyl)methoxy]-2-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-[diphenyl-(4-propan-2-ylphenyl)methoxy]-2-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-hexadecanoyloxy-3-[p-cumenyl(diphenyl)methoxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H70NO7P MolecularWeight: 780.024261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C(C)C)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C(C)C)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C46H70NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-30-45(48)54-44(38-53-55(49,50)52-36-35-47(4,5)6)37-51-46(41-26-21-19-22-27-41,42-28-23-20-24-29-42)43-33-31-40(32-34-43)39(2)3/h19-24,26-29,31-34,39,44H,7-18,25,30,35-38H2,1-6H3