[5-[bis(fluoranyl)methoxy]-3-oxidanylidene-1H-2-benzofuran-1-yl]-triphenyl-phosphanium bromide

Systemtic Name: [5-[bis(fluoranyl)methoxy]-3-oxidanylidene-1H-2-benzofuran-1-yl]-triphenyl-phosphanium bromide Openeye Name: [5-(difluoromethoxy)-3-oxo-1H-isobenzofuran-1-yl]-triphenyl-phosphonium bromide CAS Name: [5-(difluoromethoxy)-3-oxo-1H-isobenzofuran-1-yl]-triphenylphosphonium bromide IUPAC Name: [5-(difluoromethoxy)-3-oxo-1H-2-benzofuran-1-yl]-triphenylphosphanium bromide Traditional Name: [5-(difluoromethoxy)-3-keto-phthalan-1-yl]-triphenyl-phosphonium bromide Formula: C27H20BrF2O3P MolecularWeight: 541.320467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2C3=C(C=C(C=C3)OC(F)F)C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2C3=C(C=C(C=C3)OC(F)F)C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H20F2O3P.BrH/c28-27(29)31-19-16-17-23-24(18-19)25(30)32-26(23)33(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-18,26-27H;1H/q+1;/p-1