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

Systemtic Name: [2-[(E)-5,8-bis(oxidanylidene)oct-6-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxohexadecoxy)-2-[(E)-1,5,8-trioxooct-6-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(E)-5,8-diketooct-6-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H58NO10P MolecularWeight: 647.777381

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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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,30H,5-18,20,22-24,26-28H2,1-4H3/b21-19+