(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium bromide

Systemtic Name: (4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium bromide Openeye Name: (5-hydroxy-4,4-dimethyl-5-oxo-pentyl)-triphenyl-phosphonium bromide CAS Name: (5-hydroxy-4,4-dimethyl-5-oxopentyl)-triphenylphosphonium bromide IUPAC Name: (5-hydroxy-4,4-dimethyl-5-oxopentyl)-triphenylphosphanium bromide Traditional Name: (5-hydroxy-5-keto-4,4-dimethyl-pentyl)-triphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27O2P.BrH/c1-25(2,24(26)27)19-12-20-28(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,12,19-20H2,1-2H3;1H