[2-[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]oxy-3-tetradecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]oxy-3-tetradecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[4-(4-nitrophenoxy)-4-oxo-butanoyl]oxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[4-(4-nitrophenoxy)-1,4-dioxobutoxy]-3-(1-oxotetradecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[4-(4-nitrophenoxy)-4-oxobutanoyl]oxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[4-keto-4-(4-nitrophenoxy)butanoyl]oxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H53N2O12P MolecularWeight: 688.743181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C32H53N2O12P/c1-5-6-7-8-9-10-11-12-13-14-15-16-30(35)42-25-29(26-44-47(40,41)43-24-23-34(2,3)4)46-32(37)22-21-31(36)45-28-19-17-27(18-20-28)33(38)39/h17-20,29H,5-16,21-26H2,1-4H3