[3-octadecoxy-2-(9-oxidanyl-9-oxidanylidene-nonanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecoxy-2-(9-oxidanyl-9-oxidanylidene-nonanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(9-hydroxy-9-oxo-nonanoyl)oxy-3-octadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(9-hydroxy-1,9-dioxononoxy)-3-octadecoxypropyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(9-hydroxy-9-oxononanoyl)oxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(9-hydroxy-9-keto-nonanoyl)oxy-3-stearyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H70NO9P MolecularWeight: 679.905361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H70NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-42-31-33(32-44-46(40,41)43-30-28-36(2,3)4)45-35(39)27-24-21-19-20-23-26-34(37)38/h33H,5-32H2,1-4H3,(H-,37,38,40,41)