[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butyl]-triphenyl-phosphanium bromide

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butyl]-triphenyl-phosphanium bromide Openeye Name: (4-tert-butoxy-4-oxo-butyl)-triphenyl-phosphonium bromide CAS Name: [4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-triphenylphosphonium bromide IUPAC Name: [4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-triphenylphosphanium bromide Traditional Name: (4-tert-butoxy-4-keto-butyl)-triphenyl-phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O2P.BrH/c1-26(2,3)28-25(27)20-13-21-29(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;/h4-12,14-19H,13,20-21H2,1-3H3;1H/q+1;/p-1