[2-(13-ethenoxytridecanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(13-ethenoxytridecanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(13-vinyloxytridecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(13-ethenoxy-1-oxotridecoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(13-ethenoxytridecanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(13-vinyloxytridecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H76NO9P MolecularWeight: 733.995801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCOC=C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCOC=C

InChI

InChI=1S/C39H76NO9P/c1-6-8-9-10-11-12-13-14-15-18-21-24-27-30-38(41)46-35-37(36-48-50(43,44)47-34-32-40(3,4)5)49-39(42)31-28-25-22-19-16-17-20-23-26-29-33-45-7-2/h7,37H,2,6,8-36H2,1,3-5H3