10-(1-phenoxathiin-10-ium-10-ylhex-5-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-(1-phenoxathiin-10-ium-10-ylhex-5-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-(2-phenoxathiin-10-ium-10-ylhex-5-enyl)phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[1-(10-phenoxathiin-10-iumyl)hex-5-en-2-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-(1-phenoxathiin-10-ium-10-ylhex-5-en-2-yl)phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-(2-phenoxathiin-10-ium-10-ylhex-5-enyl)phenoxathiin-10-ium dihexafluorophosphate Formula: C30H26F12O2P2S2 MolecularWeight: 772.5846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(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=CCCC(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/C30H26O2S2.2F6P/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*1-7(2,3,4,5)6/h2,4-11,13-20,22H,1,3,12,21H2;;/q+2;2*-1