[3-hexadecanoyloxy-2-[(E)-9-oxidanyl-13-oxidanylidene-tridec-11-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[(E)-9-oxidanyl-13-oxidanylidene-tridec-11-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[(E)-9-hydroxy-13-oxo-tridec-11-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(E)-9-hydroxy-1,13-dioxotridec-11-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[(E)-9-hydroxy-13-oxotridec-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[(E)-9-hydroxy-13-keto-tridec-11-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H70NO10P MolecularWeight: 719.926161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H70NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-27-36(41)45-32-35(33-47-49(43,44)46-31-29-38(2,3)4)48-37(42)28-22-19-16-17-20-25-34(40)26-23-24-30-39/h23-24,30,34-35,40H,5-22,25-29,31-33H2,1-4H3/b24-23+