10-(1-phenoxathiin-10-ium-10-yloct-7-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-(1-phenoxathiin-10-ium-10-yloct-7-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[1-(phenoxathiin-10-ium-10-ylmethyl)hept-6-enyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[1-(10-phenoxathiin-10-iumyl)oct-7-en-2-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-(1-phenoxathiin-10-ium-10-yloct-7-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[1-(phenoxathiin-10-ium-10-ylmethyl)hept-6-enyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C32H30F12O2P2S2 MolecularWeight: 800.63776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H30O2S2.2F6P/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*1-7(2,3,4,5)6/h2,6-13,15-22,24H,1,3-5,14,23H2;;/q+2;2*-1