10-[(E)-5-phenoxathiin-10-ium-10-yloct-4-en-4-yl]phenoxathiin-10-ium ditetrafluoroborate

Systemtic Name: 10-[(E)-5-phenoxathiin-10-ium-10-yloct-4-en-4-yl]phenoxathiin-10-ium ditetrafluoroborate Openeye Name: 10-[(E)-2-phenoxathiin-10-ium-10-yl-1-propyl-pent-1-enyl]phenoxathiin-10-ium ditetrafluoroborate CAS Name: 10-[(E)-5-(10-phenoxathiin-10-iumyl)oct-4-en-4-yl]phenoxathiin-10-ium ditetrafluoroborate IUPAC Name: 10-[(E)-5-phenoxathiin-10-ium-10-yloct-4-en-4-yl]phenoxathiin-10-ium ditetrafluoroborate Traditional Name: 10-[(E)-2-phenoxathiin-10-ium-10-yl-1-propyl-pent-1-enyl]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.CCCC(=C(CCC)[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.CCC/C(=C(/CCC)\[S+]1C2=CC=CC=C2OC3=CC=CC=C31)/[S+]4C5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C32H30O2S2.2BF4/c1-3-13-31(35-27-19-9-5-15-23(27)33-24-16-6-10-20-28(24)35)32(14-4-2)36-29-21-11-7-17-25(29)34-26-18-8-12-22-30(26)36;2*2-1(3,4)5/h5-12,15-22H,3-4,13-14H2,1-2H3;;/q+2;2*-1/b32-31+;;