10-(1-phenoxathiin-10-ium-10-ylhept-6-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-(1-phenoxathiin-10-ium-10-ylhept-6-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-(2-phenoxathiin-10-ium-10-ylhept-6-enyl)phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[1-(10-phenoxathiin-10-iumyl)hept-6-en-2-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-(1-phenoxathiin-10-ium-10-ylhept-6-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-(2-phenoxathiin-10-ium-10-ylhept-6-enyl)phenoxathiin-10-ium dihexafluorophosphate Formula: C31H28F12O2P2S2 MolecularWeight: 786.61118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC(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=CCCCC(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/C31H28O2S2.2F6P/c1-2-3-4-13-23(35-30-20-11-7-16-26(30)33-27-17-8-12-21-31(27)35)22-34-28-18-9-5-14-24(28)32-25-15-6-10-19-29(25)34;2*1-7(2,3,4,5)6/h2,5-12,14-21,23H,1,3-4,13,22H2;;/q+2;2*-1