[(Z)-2-fluoranyl-12,12-dimethyl-11-oxidanylidene-tridec-1-enyl]-phenyl-iodanium tetrafluoroborate

Systemtic Name: [(Z)-2-fluoranyl-12,12-dimethyl-11-oxidanylidene-tridec-1-enyl]-phenyl-iodanium tetrafluoroborate Openeye Name: [(Z)-2-fluoro-12,12-dimethyl-11-oxo-tridec-1-enyl]-phenyl-iodonium tetrafluoroborate CAS Name: [(Z)-2-fluoro-12,12-dimethyl-11-oxotridec-1-enyl]-phenyliodonium tetrafluoroborate IUPAC Name: [(Z)-2-fluoro-12,12-dimethyl-11-oxotridec-1-enyl]-phenyliodanium tetrafluoroborate Traditional Name: [(Z)-2-fluoro-11-keto-12,12-dimethyl-tridec-1-enyl]-phenyl-iodonium tetrafluoroborate Formula: C21H31BF5IO MolecularWeight: 532.177726

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C(=O)CCCCCCCCC(=C[I+]C1=CC=CC=C1)F

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C(=O)CCCCCCCC/C(=C/[I+]C1=CC=CC=C1)/F

InChI

InChI=1S/C21H31FIO.BF4/c1-21(2,3)20(24)16-12-7-5-4-6-9-13-18(22)17-23-19-14-10-8-11-15-19;2-1(3,4)5/h8,10-11,14-15,17H,4-7,9,12-13,16H2,1-3H3;/q+1;-1/b18-17-;