10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylheptan-3-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylheptan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2R)-1-methyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(2S,3R)-2-(10-phenoxathiin-10-iumyl)heptan-3-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylheptan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2R)-1-methyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C31H30F12O2P2S2 MolecularWeight: 788.62706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(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

CCCC[C@H]([C@H](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/C31H30O2S2.2F6P/c1-3-4-17-27(35-30-20-11-7-15-25(30)33-26-16-8-12-21-31(26)35)22(2)34-28-18-9-5-13-23(28)32-24-14-6-10-19-29(24)34;2*1-7(2,3,4,5)6/h5-16,18-22,27H,3-4,17H2,1-2H3;;/q+2;2*-1/t22-,27+;;/m0../s1