tris(4-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide

Systemtic Name: tris(4-methylphenyl)-(5-oxidanyl-5-oxidanylidene-pentyl)phosphanium bromide Openeye Name: (5-hydroxy-5-oxo-pentyl)-tris(p-tolyl)phosphonium bromide CAS Name: (5-hydroxy-5-oxopentyl)-tris(4-methylphenyl)phosphonium bromide IUPAC Name: (5-hydroxy-5-oxopentyl)-tris(4-methylphenyl)phosphanium bromide Traditional Name: (5-hydroxy-5-keto-pentyl)-tris(p-tolyl)phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29O2P.BrH/c1-20-7-13-23(14-8-20)29(19-5-4-6-26(27)28,24-15-9-21(2)10-16-24)25-17-11-22(3)12-18-25;/h7-18H,4-6,19H2,1-3H3;1H