(13,13-dimethyl-12-oxidanylidene-tetradec-1-ynyl)-phenyl-iodanium tetrafluoroborate

Systemtic Name: (13,13-dimethyl-12-oxidanylidene-tetradec-1-ynyl)-phenyl-iodanium tetrafluoroborate Openeye Name: (13,13-dimethyl-12-oxo-tetradec-1-ynyl)-phenyl-iodonium tetrafluoroborate CAS Name: (13,13-dimethyl-12-oxotetradec-1-ynyl)-phenyliodonium tetrafluoroborate IUPAC Name: (13,13-dimethyl-12-oxotetradec-1-ynyl)-phenyliodanium tetrafluoroborate Traditional Name: (12-keto-13,13-dimethyl-tetradec-1-ynyl)-phenyl-iodonium tetrafluoroborate Formula: C22H32BF4IO MolecularWeight: 526.197963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32IO.BF4/c1-22(2,3)21(24)18-14-9-7-5-4-6-8-10-15-19-23-20-16-12-11-13-17-20;2-1(3,4)5/h11-13,16-17H,4-10,14,18H2,1-3H3;/q+1;-1