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

Systemtic Name: [2-(7-ethoxy-7-oxidanylidene-heptoxy)-3-hexadecoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(7-ethoxy-7-oxo-heptoxy)-3-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(7-ethoxy-7-oxoheptoxy)-3-hexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(7-ethoxy-7-oxoheptoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-cetyloxy-2-(7-ethoxy-7-keto-heptoxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H68NO8P MolecularWeight: 637.868681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H68NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23-27-38-30-32(31-42-43(36,37)41-29-26-34(3,4)5)40-28-24-21-19-22-25-33(35)39-7-2/h32H,6-31H2,1-5H3