5-hex-1-ynylthianthren-5-ium tetrafluoroborate

Systemtic Name: 5-hex-1-ynylthianthren-5-ium tetrafluoroborate Openeye Name: 5-hex-1-ynylthianthren-5-ium tetrafluoroborate CAS Name: 5-hex-1-ynylthianthren-5-ium tetrafluoroborate IUPAC Name: 5-hex-1-ynylthianthren-5-ium tetrafluoroborate Traditional Name: 5-hex-1-ynylthianthren-5-ium tetrafluoroborate Formula: C18H17BF4S2 MolecularWeight: 384.262193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17S2.BF4/c1-2-3-4-9-14-20-17-12-7-5-10-15(17)19-16-11-6-8-13-18(16)20;2-1(3,4)5/h5-8,10-13H,2-4H2,1H3;/q+1;-1