(7-oxidanyl-7-oxidanylidene-heptyl)-triphenyl-phosphanium bromide

Systemtic Name: (7-oxidanyl-7-oxidanylidene-heptyl)-triphenyl-phosphanium bromide Openeye Name: (7-hydroxy-7-oxo-heptyl)-triphenyl-phosphonium bromide CAS Name: (7-hydroxy-7-oxoheptyl)-triphenylphosphonium bromide IUPAC Name: (7-hydroxy-7-oxoheptyl)-triphenylphosphanium bromide Traditional Name: (7-hydroxy-7-keto-heptyl)-triphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27O2P.BrH/c26-25(27)20-12-1-2-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,1-2,12-13,20-21H2;1H