3-thianthren-5-ium-5-ylpentan-2-one tetrafluoroborate

Systemtic Name: 3-thianthren-5-ium-5-ylpentan-2-one tetrafluoroborate Openeye Name: 3-thianthren-5-ium-5-ylpentan-2-one tetrafluoroborate CAS Name: 3-(5-thianthren-5-iumyl)-2-pentanone tetrafluoroborate IUPAC Name: 3-thianthren-5-ium-5-ylpentan-2-one tetrafluoroborate Traditional Name: 3-thianthren-5-ium-5-ylpentan-2-one tetrafluoroborate Formula: C17H17BF4OS2 MolecularWeight: 388.250893

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC(C(=O)C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

[B-](F)(F)(F)F.CCC(C(=O)C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H17OS2.BF4/c1-3-15(12(2)18)20-16-10-6-4-8-13(16)19-14-9-5-7-11-17(14)20;2-1(3,4)5/h4-11,15H,3H2,1-2H3;/q+1;-1