[2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(Z)-1-oxodocos-13-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(Z)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H90NO8P MolecularWeight: 816.182461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-