5-[(E)-3-thianthren-5-ium-5-ylbut-2-en-2-yl]thianthren-5-ium ditetrafluoroborate

Systemtic Name: 5-[(E)-3-thianthren-5-ium-5-ylbut-2-en-2-yl]thianthren-5-ium ditetrafluoroborate Openeye Name: 5-[(E)-1-methyl-2-thianthren-5-ium-5-yl-prop-1-enyl]thianthren-5-ium ditetrafluoroborate CAS Name: 5-[(E)-3-(5-thianthren-5-iumyl)but-2-en-2-yl]thianthren-5-ium ditetrafluoroborate IUPAC Name: 5-[(E)-3-thianthren-5-ium-5-ylbut-2-en-2-yl]thianthren-5-ium ditetrafluoroborate Traditional Name: 5-[(E)-1-methyl-2-thianthren-5-ium-5-yl-prop-1-enyl]thianthren-5-ium ditetrafluoroborate Formula: C28H22B2F8S4 MolecularWeight: 660.343506

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(=C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)[S+]4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C/C(=C(/C)\[S+]1C2=CC=CC=C2SC3=CC=CC=C31)/[S+]4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H22S4.2BF4/c1-19(31-25-15-7-3-11-21(25)29-22-12-4-8-16-26(22)31)20(2)32-27-17-9-5-13-23(27)30-24-14-6-10-18-28(24)32;2*2-1(3,4)5/h3-18H,1-2H3;;/q+2;2*-1/b20-19+;;