10-[(4S,5R)-5-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(4S,5R)-5-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2R)-2-phenoxathiin-10-ium-10-yl-1-propyl-pentyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(4S,5R)-5-(10-phenoxathiin-10-iumyl)octan-4-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(4S,5R)-5-phenoxathiin-10-ium-10-yloctan-4-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2R)-2-phenoxathiin-10-ium-10-yl-1-propyl-pentyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C32H32F12O2P2S2 MolecularWeight: 802.65364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCC)[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

CCC[C@H]([C@H](CCC)[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/c1-3-13-31(35-27-19-9-5-15-23(27)33-24-16-6-10-20-28(24)35)32(14-4-2)36-29-21-11-7-17-25(29)34-26-18-8-12-22-30(26)36;2*1-7(2,3,4,5)6/h5-12,15-22,31-32H,3-4,13-14H2,1-2H3;;/q+2;2*-1/t31-,32+;;