5-[(E)-4-thianthren-5-ium-5-ylhex-3-en-3-yl]thianthren-5-ium ditetrafluoroborate

Systemtic Name: 5-[(E)-4-thianthren-5-ium-5-ylhex-3-en-3-yl]thianthren-5-ium ditetrafluoroborate Openeye Name: 5-[(E)-1-ethyl-2-thianthren-5-ium-5-yl-but-1-enyl]thianthren-5-ium ditetrafluoroborate CAS Name: 5-[(E)-4-(5-thianthren-5-iumyl)hex-3-en-3-yl]thianthren-5-ium ditetrafluoroborate IUPAC Name: 5-[(E)-4-thianthren-5-ium-5-ylhex-3-en-3-yl]thianthren-5-ium ditetrafluoroborate Traditional Name: 5-[(E)-1-ethyl-2-thianthren-5-ium-5-yl-but-1-enyl]thianthren-5-ium ditetrafluoroborate Formula: C30H26B2F8S4 MolecularWeight: 688.396666

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H26S4.2BF4/c1-3-25(33-27-17-9-5-13-21(27)31-22-14-6-10-18-28(22)33)26(4-2)34-29-19-11-7-15-23(29)32-24-16-8-12-20-30(24)34;2*2-1(3,4)5/h5-20H,3-4H2,1-2H3;;/q+2;2*-1/b26-25+;;