[4-hexadecanoyloxy-2-(7-oxidanylideneheptanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [4-hexadecanoyloxy-2-(7-oxidanylideneheptanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [4-hexadecanoyloxy-2-(7-oxoheptanoyloxy)butyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(1,7-dioxoheptoxy)-4-(1-oxohexadecoxy)butyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [4-hexadecanoyloxy-2-(7-oxoheptanoyloxy)butyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [4-hexadecanoyloxy-2-(7-ketoheptanoyloxy)butyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H62NO9P MolecularWeight: 635.809741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31(35)39-27-24-30(42-32(36)23-20-17-18-21-26-34)29-41-43(37,38)40-28-25-33(2,3)4/h26,30H,5-25,27-29H2,1-4H3