(5-methyl-2-oxidanylidene-hexyl)-triphenyl-phosphanium bromide

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl)-triphenyl-phosphanium bromide Openeye Name: (5-methyl-2-oxo-hexyl)-triphenyl-phosphonium bromide CAS Name: (5-methyl-2-oxohexyl)-triphenylphosphonium bromide IUPAC Name: (5-methyl-2-oxohexyl)-triphenylphosphanium bromide Traditional Name: (2-keto-5-methyl-hexyl)-triphenyl-phosphonium bromide Formula: C25H28BrOP MolecularWeight: 455.366981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28OP.BrH/c1-21(2)18-19-22(26)20-27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1