[3-hexadecanoyloxy-2-[4-(2-oxidanyl-5-oxidanylidene-furan-2-yl)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[4-(2-oxidanyl-5-oxidanylidene-furan-2-yl)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[4-(2-hydroxy-5-oxo-2-furyl)butanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[4-(2-hydroxy-5-oxo-2-furanyl)-1-oxobutoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[4-(2-hydroxy-5-oxofuran-2-yl)butanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[4-(2-hydroxy-5-keto-2-furyl)butanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H58NO11P MolecularWeight: 663.776781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC1(C=CC(=O)O1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC1(C=CC(=O)O1)O

InChI

InChI=1S/C32H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29(34)40-26-28(27-42-45(38,39)41-25-24-33(2,3)4)43-30(35)20-18-22-32(37)23-21-31(36)44-32/h21,23,28,37H,5-20,22,24-27H2,1-4H3