10-[(3S,4S)-3-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(3S,4S)-3-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(3S,4S)-3-(10-phenoxathiin-10-iumyl)octan-4-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(3S,4S)-3-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C32H32F12O2P2S2 MolecularWeight: 802.65364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)[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](CC)[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/C32H32O2S2.2F6P/c1-3-5-18-32(36-30-21-12-8-16-25(30)34-26-17-9-13-22-31(26)36)27(4-2)35-28-19-10-6-14-23(28)33-24-15-7-11-20-29(24)35;2*1-7(2,3,4,5)6/h6-17,19-22,27,32H,3-5,18H2,1-2H3;;/q+2;2*-1/t27-,32-;;/m0../s1