10-[(2S,3S)-2-phenoxathiin-10-ium-10-ylhex-5-en-3-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(2S,3S)-2-phenoxathiin-10-ium-10-ylhex-5-en-3-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2S)-1-methyl-2-phenoxathiin-10-ium-10-yl-pent-4-enyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(2S,3S)-2-(10-phenoxathiin-10-iumyl)hex-5-en-3-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(2S,3S)-2-phenoxathiin-10-ium-10-ylhex-5-en-3-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2S)-1-methyl-2-phenoxathiin-10-ium-10-yl-pent-4-enyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C30H26F12O2P2S2 MolecularWeight: 772.5846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=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[C@@H]([C@H](CC=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/c1-3-12-26(34-29-19-10-6-15-24(29)32-25-16-7-11-20-30(25)34)21(2)33-27-17-8-4-13-22(27)31-23-14-5-9-18-28(23)33;2*1-7(2,3,4,5)6/h3-11,13-21,26H,1,12H2,2H3;;/q+2;2*-1/t21-,26-;;/m0../s1