[3-hexadecanoyloxy-2-[(E)-8-oxidanyl-5,8-bis(oxidanylidene)oct-6-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[(E)-8-oxidanyl-5,8-bis(oxidanylidene)oct-6-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[(E)-8-hydroxy-5,8-dioxo-oct-6-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(E)-8-hydroxy-1,5,8-trioxooct-6-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[(E)-8-hydroxy-5,8-dioxooct-6-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[(E)-8-hydroxy-5,8-diketo-oct-6-enoyl]oxy-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)CCCC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,29H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+