[3-hexadecanoyloxy-2-(12-oxidanyl-12-oxidanylidene-dodecanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-(12-oxidanyl-12-oxidanylidene-dodecanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-(12-hydroxy-12-oxo-dodecanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(12-hydroxy-1,12-dioxododecoxy)-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-(12-hydroxy-12-oxododecanoyl)oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-(12-hydroxy-12-keto-dodecanoyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C36H70NO10P MolecularWeight: 707.915461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70NO10P/c1-5-6-7-8-9-10-11-12-13-14-18-21-24-27-35(40)44-31-33(32-46-48(42,43)45-30-29-37(2,3)4)47-36(41)28-25-22-19-16-15-17-20-23-26-34(38)39/h33H,5-32H2,1-4H3,(H-,38,39,42,43)