[6,6-bis(fluoranyl)-7-oxidanyl-7-oxidanylidene-heptyl]-triphenyl-phosphanium bromide

Systemtic Name: [6,6-bis(fluoranyl)-7-oxidanyl-7-oxidanylidene-heptyl]-triphenyl-phosphanium bromide Openeye Name: (6,6-difluoro-7-hydroxy-7-oxo-heptyl)-triphenyl-phosphonium bromide CAS Name: (6,6-difluoro-7-hydroxy-7-oxoheptyl)-triphenylphosphonium bromide IUPAC Name: (6,6-difluoro-7-hydroxy-7-oxoheptyl)-triphenylphosphanium bromide Traditional Name: (6,6-difluoro-7-hydroxy-7-keto-heptyl)-triphenyl-phosphonium bromide Formula: C25H26BrF2O2P MolecularWeight: 507.347307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25F2O2P.BrH/c26-25(27,24(28)29)19-11-4-12-20-30(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18H,4,11-12,19-20H2;1H