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

Systemtic Name: 5-[(E)-1-thianthren-5-ium-5-yloct-1-en-2-yl]thianthren-5-ium ditetrafluoroborate Openeye Name: 5-[(1E)-1-(thianthren-5-ium-5-ylmethylene)heptyl]thianthren-5-ium ditetrafluoroborate CAS Name: 5-[(E)-1-(5-thianthren-5-iumyl)oct-1-en-2-yl]thianthren-5-ium ditetrafluoroborate IUPAC Name: 5-[(E)-1-thianthren-5-ium-5-yloct-1-en-2-yl]thianthren-5-ium ditetrafluoroborate Traditional Name: 5-[(E)-1-hexyl-2-thianthren-5-ium-5-yl-vinyl]thianthren-5-ium ditetrafluoroborate Formula: C32H30B2F8S4 MolecularWeight: 716.449826

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H30S4.2BF4/c1-2-3-4-5-14-24(36-31-21-12-8-17-27(31)34-28-18-9-13-22-32(28)36)23-35-29-19-10-6-15-25(29)33-26-16-7-11-20-30(26)35;2*2-1(3,4)5/h6-13,15-23H,2-5,14H2,1H3;;/q+2;2*-1/b24-23+;;