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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCC[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/C30H28O2S2.2F6P/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/h4-11,13-21,26H,3,12H2,1-2H3;;/q+2;2*-1/t21-,26+;;/m0../s1