[2-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-3-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-3-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(5-hydroxy-5-oxo-pentanoyl)oxy-3-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(5-hydroxy-1,5-dioxopentoxy)-3-[1-oxo-10-(1-pyrenyl)decoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(5-hydroxy-5-oxopentanoyl)oxy-3-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(5-hydroxy-5-keto-pentanoyl)oxy-3-(10-pyren-1-yldecanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H52NO10P MolecularWeight: 725.804641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCC(=O)O

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCC(=O)O

InChI

InChI=1S/C39H52NO10P/c1-40(2,3)25-26-48-51(45,46)49-28-33(50-37(44)18-12-16-35(41)42)27-47-36(43)17-10-8-6-4-5-7-9-13-29-19-20-32-22-21-30-14-11-15-31-23-24-34(29)39(32)38(30)31/h11,14-15,19-24,33H,4-10,12-13,16-18,25-28H2,1-3H3,(H-,41,42,45,46)