5-[(E)-6-thianthren-5-ium-5-yldec-5-en-5-yl]thianthren-5-ium ditetrafluoroborate

Systemtic Name: 5-[(E)-6-thianthren-5-ium-5-yldec-5-en-5-yl]thianthren-5-ium ditetrafluoroborate Openeye Name: 5-[(E)-1-butyl-2-thianthren-5-ium-5-yl-hex-1-enyl]thianthren-5-ium ditetrafluoroborate CAS Name: 5-[(E)-6-(5-thianthren-5-iumyl)dec-5-en-5-yl]thianthren-5-ium ditetrafluoroborate IUPAC Name: 5-[(E)-6-thianthren-5-ium-5-yldec-5-en-5-yl]thianthren-5-ium ditetrafluoroborate Traditional Name: 5-[(E)-1-butyl-2-thianthren-5-ium-5-yl-hex-1-enyl]thianthren-5-ium ditetrafluoroborate Formula: C34H34B2F8S4 MolecularWeight: 744.502986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H34S4.2BF4/c1-3-5-19-33(37-29-21-11-7-15-25(29)35-26-16-8-12-22-30(26)37)34(20-6-4-2)38-31-23-13-9-17-27(31)36-28-18-10-14-24-32(28)38;2*2-1(3,4)5/h7-18,21-24H,3-6,19-20H2,1-2H3;;/q+2;2*-1/b34-33+;;