tris(3-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide

Systemtic Name: tris(3-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide Openeye Name: (5-hydroxy-5-oxo-pentyl)-tris(m-tolyl)phosphonium bromide CAS Name: (5-hydroxy-5-oxopentyl)-tris(3-methylphenyl)phosphonium bromide IUPAC Name: (5-hydroxy-5-oxopentyl)-tris(3-methylphenyl)phosphanium bromide Traditional Name: (5-hydroxy-5-keto-pentyl)-tris(m-tolyl)phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29O2P.BrH/c1-20-9-6-12-23(17-20)29(16-5-4-15-26(27)28,24-13-7-10-21(2)18-24)25-14-8-11-22(3)19-25;/h6-14,17-19H,4-5,15-16H2,1-3H3;1H