10-[(2S,3R)-4-methyl-3-phenoxathiin-10-ium-10-yl-pentan-2-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(2S,3R)-4-methyl-3-phenoxathiin-10-ium-10-yl-pentan-2-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2R)-1,3-dimethyl-2-phenoxathiin-10-ium-10-yl-butyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(2S,3R)-4-methyl-3-(10-phenoxathiin-10-iumyl)pentan-2-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(2S,3R)-4-methyl-3-phenoxathiin-10-ium-10-ylpentan-2-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2R)-1,3-dimethyl-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:

CC(C)C(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

C[C@@H]([C@@H](C(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

InChI

InChI=1S/C30H28O2S2.2F6P/c1-20(2)30(34-28-18-10-6-14-24(28)32-25-15-7-11-19-29(25)34)21(3)33-26-16-8-4-12-22(26)31-23-13-5-9-17-27(23)33;2*1-7(2,3,4,5)6/h4-21,30H,1-3H3;;/q+2;2*-1/t21-,30+;;/m0../s1