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

Systemtic Name: 10-[(3S,4S)-4-phenoxathiin-10-ium-10-ylhexan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-butyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(3S,4S)-4-(10-phenoxathiin-10-iumyl)hexan-3-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(3S,4S)-4-phenoxathiin-10-ium-10-ylhexan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-butyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C30H28F12O2P2S2 MolecularWeight: 774.60048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CC[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/C30H28O2S2.2F6P/c1-3-25(33-27-17-9-5-13-21(27)31-22-14-6-10-18-28(22)33)26(4-2)34-29-19-11-7-15-23(29)32-24-16-8-12-20-30(24)34;2*1-7(2,3,4,5)6/h5-20,25-26H,3-4H2,1-2H3;;/q+2;2*-1/t25-,26-;;/m0../s1