tris(2-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide

Systemtic Name: tris(2-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide Openeye Name: (5-hydroxy-5-oxo-pentyl)-tris(o-tolyl)phosphonium bromide CAS Name: (5-hydroxy-5-oxopentyl)-tris(2-methylphenyl)phosphonium bromide IUPAC Name: (5-hydroxy-5-oxopentyl)-tris(2-methylphenyl)phosphanium bromide Traditional Name: (5-hydroxy-5-keto-pentyl)-tris(o-tolyl)phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[P+](CCCCC(=O)O)(C2=CC=CC=C2C)C3=CC=CC=C3C.[Br-]

Isomeric SMILES

CC1=CC=CC=C1[P+](CCCCC(=O)O)(C2=CC=CC=C2C)C3=CC=CC=C3C.[Br-]

InChI

InChI=1S/C26H29O2P.BrH/c1-20-12-4-7-15-23(20)29(19-11-10-18-26(27)28,24-16-8-5-13-21(24)2)25-17-9-6-14-22(25)3;/h4-9,12-17H,10-11,18-19H2,1-3H3;1H