(3-octadecoxy-2-phenylmethoxy-propyl) 8-(trimethylazaniumyl)octyl phosphate

Systemtic Name: (3-octadecoxy-2-phenylmethoxy-propyl) 8-(trimethylazaniumyl)octyl phosphate Openeye Name: (2-benzyloxy-3-octadecoxy-propyl) 8-(trimethylammonio)octyl phosphate CAS Name: (3-octadecoxy-2-phenylmethoxypropyl) 8-(trimethylammonio)octyl phosphate IUPAC Name: (3-octadecoxy-2-phenylmethoxypropyl) 8-(trimethylazaniumyl)octyl phosphate Traditional Name: (2-benzoxy-3-stearyloxy-propyl) 8-(trimethylammonio)octyl phosphate Formula: C39H74NO6P MolecularWeight: 683.981721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C39H74NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-28-33-43-36-39(44-35-38-30-25-24-26-31-38)37-46-47(41,42)45-34-29-23-20-18-21-27-32-40(2,3)4/h24-26,30-31,39H,5-23,27-29,32-37H2,1-4H3