[4-hexadecanoyloxy-2-(9-oxidanylidenenonanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [4-hexadecanoyloxy-2-(9-oxidanylidenenonanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [4-hexadecanoyloxy-2-(9-oxononanoyloxy)butyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1,9-dioxononoxy)-4-(1-oxohexadecoxy)butyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [4-hexadecanoyloxy-2-(9-oxononanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [4-hexadecanoyloxy-2-(9-ketononanoyloxy)butyl] 2-(trimethylammonio)ethyl phosphate Formula: C34H66NO9P MolecularWeight: 663.862901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=O

InChI

InChI=1S/C34H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-33(37)41-29-26-32(31-43-45(39,40)42-30-27-35(2,3)4)44-34(38)25-22-19-16-17-20-23-28-36/h28,32H,5-27,29-31H2,1-4H3