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

Systemtic Name: 10-[(E)-1-phenoxathiin-10-ium-10-ylhex-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Openeye Name: 10-[(E)-2-phenoxathiin-10-ium-10-ylhex-1-enyl]phenoxathiin-10-ium ditetrafluoroborate CAS Name: 10-[(E)-1-(10-phenoxathiin-10-iumyl)hex-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate IUPAC Name: 10-[(E)-1-phenoxathiin-10-ium-10-ylhex-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Traditional Name: 10-[(E)-1-butyl-2-phenoxathiin-10-ium-10-yl-vinyl]phenoxathiin-10-ium ditetrafluoroborate Formula: C30H26B2F8O2S2 MolecularWeight: 656.265466

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H26O2S2.2BF4/c1-2-3-12-22(34-29-19-10-6-15-25(29)32-26-16-7-11-20-30(26)34)21-33-27-17-8-4-13-23(27)31-24-14-5-9-18-28(24)33;2*2-1(3,4)5/h4-11,13-21H,2-3,12H2,1H3;;/q+2;2*-1/b22-21+;;