5-[(E)-1-thianthren-5-ium-5-ylnon-1-en-2-yl]thianthren-5-ium ditetrafluoroborate

Systemtic Name: 5-[(E)-1-thianthren-5-ium-5-ylnon-1-en-2-yl]thianthren-5-ium ditetrafluoroborate Openeye Name: 5-[(1E)-1-(thianthren-5-ium-5-ylmethylene)octyl]thianthren-5-ium ditetrafluoroborate CAS Name: 5-[(E)-1-(5-thianthren-5-iumyl)non-1-en-2-yl]thianthren-5-ium ditetrafluoroborate IUPAC Name: 5-[(E)-1-thianthren-5-ium-5-ylnon-1-en-2-yl]thianthren-5-ium ditetrafluoroborate Traditional Name: 5-[(E)-1-heptyl-2-thianthren-5-ium-5-yl-vinyl]thianthren-5-ium ditetrafluoroborate Formula: C33H32B2F8S4 MolecularWeight: 730.476406

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H32S4.2BF4/c1-2-3-4-5-6-15-25(37-32-22-13-9-18-28(32)35-29-19-10-14-23-33(29)37)24-36-30-20-11-7-16-26(30)34-27-17-8-12-21-31(27)36;2*2-1(3,4)5/h7-14,16-24H,2-6,15H2,1H3;;/q+2;2*-1/b25-24+;;