(3-hexadecanoyloxy-2-pentacosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (3-hexadecanoyloxy-2-pentacosanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-hexadecanoyloxy-2-pentacosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxohexadecoxy)-2-(1-oxopentacosoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (3-hexadecanoyloxy-2-pentacosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-hexadecanoyloxy-2-pentacosanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C49H98NO8P MolecularWeight: 860.278081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C49H98NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3