tridodecyl-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide

Systemtic Name: tridodecyl-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide Openeye Name: tridodecyl-(5-hydroxy-5-oxo-pentyl)phosphonium bromide CAS Name: tridodecyl-(5-hydroxy-5-oxopentyl)phosphonium bromide IUPAC Name: tridodecyl-(5-hydroxy-5-oxopentyl)phosphanium bromide Traditional Name: (5-hydroxy-5-keto-pentyl)-trilauryl-phosphonium bromide Formula: C41H84BrO2P MolecularWeight: 719.982221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCC(=O)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCC(=O)O.[Br-]

InChI

InChI=1S/C41H83O2P.BrH/c1-4-7-10-13-16-19-22-25-28-32-37-44(40-35-31-36-41(42)43,38-33-29-26-23-20-17-14-11-8-5-2)39-34-30-27-24-21-18-15-12-9-6-3;/h4-40H2,1-3H3;1H