10-[(E)-1-phenoxathiin-10-ium-10-yloct-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate

Systemtic Name: 10-[(E)-1-phenoxathiin-10-ium-10-yloct-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Openeye Name: 10-[(1E)-1-(phenoxathiin-10-ium-10-ylmethylene)heptyl]phenoxathiin-10-ium ditetrafluoroborate CAS Name: 10-[(E)-1-(10-phenoxathiin-10-iumyl)oct-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate IUPAC Name: 10-[(E)-1-phenoxathiin-10-ium-10-yloct-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Traditional Name: 10-[(E)-1-hexyl-2-phenoxathiin-10-ium-10-yl-vinyl]phenoxathiin-10-ium ditetrafluoroborate Formula: C32H30B2F8O2S2 MolecularWeight: 684.318626

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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=C2OC3=CC=CC=C31)[S+]4C5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCCC/C(=C\[S+]1C2=CC=CC=C2OC3=CC=CC=C31)/[S+]4C5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C32H30O2S2.2BF4/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+;;