[3-hexadecoxy-2-(7-oxidanyl-7-oxidanylidene-heptoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecoxy-2-(7-oxidanyl-7-oxidanylidene-heptoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecoxy-2-(7-hydroxy-7-oxo-heptoxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hexadecoxy-2-(7-hydroxy-7-oxoheptoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecoxy-2-(7-hydroxy-7-oxoheptoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-cetyloxy-2-(7-hydroxy-7-keto-heptoxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H64NO8P MolecularWeight: 609.815521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCC(=O)O

InChI

InChI=1S/C31H64NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25-37-28-30(38-26-22-19-17-20-23-31(33)34)29-40-41(35,36)39-27-24-32(2,3)4/h30H,5-29H2,1-4H3,(H-,33,34,35,36)