(11-oxidanylidene-11-propan-2-yloxy-undec-1-ynyl)-phenyl-iodanium tetrafluoroborate

Systemtic Name: (11-oxidanylidene-11-propan-2-yloxy-undec-1-ynyl)-phenyl-iodanium tetrafluoroborate Openeye Name: (11-isopropoxy-11-oxo-undec-1-ynyl)-phenyl-iodonium tetrafluoroborate CAS Name: (11-oxo-11-propan-2-yloxyundec-1-ynyl)-phenyliodonium tetrafluoroborate IUPAC Name: (11-oxo-11-propan-2-yloxyundec-1-ynyl)-phenyliodanium tetrafluoroborate Traditional Name: (11-isopropoxy-11-keto-undec-1-ynyl)-phenyl-iodonium tetrafluoroborate Formula: C20H28BF4IO2 MolecularWeight: 514.144203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28IO2.BF4/c1-18(2)23-20(22)16-12-7-5-3-4-6-8-13-17-21-19-14-10-9-11-15-19;2-1(3,4)5/h9-11,14-15,18H,3-8,12,16H2,1-2H3;/q+1;-1