(7-oxidanyl-2-oxidanylidene-heptyl)-triphenyl-phosphanium bromide

Systemtic Name: (7-oxidanyl-2-oxidanylidene-heptyl)-triphenyl-phosphanium bromide Openeye Name: (7-hydroxy-2-oxo-heptyl)-triphenyl-phosphonium bromide CAS Name: (7-hydroxy-2-oxoheptyl)-triphenylphosphonium bromide IUPAC Name: (7-hydroxy-2-oxoheptyl)-triphenylphosphanium bromide Traditional Name: (7-hydroxy-2-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+](CC(=O)CCCCCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2P.BrH/c26-20-12-4-5-13-22(27)21-28(23-14-6-1-7-15-23,24-16-8-2-9-17-24)25-18-10-3-11-19-25;/h1-3,6-11,14-19,26H,4-5,12-13,20-21H2;1H/q+1;/p-1