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

Systemtic Name: 10-[(E)-1-phenoxathiin-10-ium-10-yldec-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Openeye Name: 10-[(E)-2-phenoxathiin-10-ium-10-yldec-1-enyl]phenoxathiin-10-ium ditetrafluoroborate CAS Name: 10-[(E)-1-(10-phenoxathiin-10-iumyl)dec-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate IUPAC Name: 10-[(E)-1-phenoxathiin-10-ium-10-yldec-1-en-2-yl]phenoxathiin-10-ium ditetrafluoroborate Traditional Name: 10-[(E)-1-octyl-2-phenoxathiin-10-ium-10-yl-vinyl]phenoxathiin-10-ium ditetrafluoroborate Formula: C34H34B2F8O2S2 MolecularWeight: 712.371786

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H34O2S2.2BF4/c1-2-3-4-5-6-7-16-26(38-33-23-14-10-19-29(33)36-30-20-11-15-24-34(30)38)25-37-31-21-12-8-17-27(31)35-28-18-9-13-22-32(28)37;2*2-1(3,4)5/h8-15,17-25H,2-7,16H2,1H3;;/q+2;2*-1/b26-25+;;