[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2,3-bis(8-cyanohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2,3-bis(8-cyanohexadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2,3-bis(8-cyano-1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2,3-bis(8-cyanohexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2,3-bis(8-cyanohexadecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H78N3O8P MolecularWeight: 784.057781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCC(CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCCCCCC)C#N)C#N

InChI

InChI=1S/C42H78N3O8P/c1-6-8-10-12-14-20-26-38(34-43)28-22-16-18-24-30-41(46)50-36-40(37-52-54(48,49)51-33-32-45(3,4)5)53-42(47)31-25-19-17-23-29-39(35-44)27-21-15-13-11-9-7-2/h38-40H,6-33,36-37H2,1-5H3/t38?,39?,40-/m1/s1