[16-oxidanylidene-16-(2-propanoyloxypropoxy)hexadecan-4-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [16-oxidanylidene-16-(2-propanoyloxypropoxy)hexadecan-4-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [13-oxo-13-(2-propanoyloxypropoxy)-1-propyl-tridecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [16-oxo-16-[2-(1-oxopropoxy)propoxy]hexadecan-4-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [16-oxo-16-(2-propanoyloxypropoxy)hexadecan-4-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [13-keto-13-(2-propionyloxypropoxy)-1-propyl-tridecyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H54NO8P MolecularWeight: 551.693321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCCCC(=O)OCC(C)OC(=O)CC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCC(CCCCCCCCCCCC(=O)OCC(C)OC(=O)CC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C27H54NO8P/c1-7-18-25(36-37(31,32)34-22-21-28(4,5)6)19-16-14-12-10-9-11-13-15-17-20-27(30)33-23-24(3)35-26(29)8-2/h24-25H,7-23H2,1-6H3