5-oct-1-ynylthianthren-5-ium tetrafluoroborate

Systemtic Name: 5-oct-1-ynylthianthren-5-ium tetrafluoroborate Openeye Name: 5-oct-1-ynylthianthren-5-ium tetrafluoroborate CAS Name: 5-oct-1-ynylthianthren-5-ium tetrafluoroborate IUPAC Name: 5-oct-1-ynylthianthren-5-ium tetrafluoroborate Traditional Name: 5-oct-1-ynylthianthren-5-ium tetrafluoroborate Formula: C20H21BF4S2 MolecularWeight: 412.315353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21S2.BF4/c1-2-3-4-5-6-11-16-22-19-14-9-7-12-17(19)21-18-13-8-10-15-20(18)22;2-1(3,4)5/h7-10,12-15H,2-6H2,1H3;/q+1;-1