5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium dihexafluorophosphate

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium dihexafluorophosphate Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium dihexafluorophosphate CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cyclopentyl]thianthren-5-ium dihexafluorophosphate IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium dihexafluorophosphate Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium dihexafluorophosphate Formula: C29H24F12P2S4 MolecularWeight: 790.68922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1C[C@H]([C@@H](C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)[S+]5C6=CC=CC=C6SC7=CC=CC=C75.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C29H24S4.2F6P/c1-5-14-24-20(10-1)30-21-11-2-6-15-25(21)32(24)28-18-9-19-29(28)33-26-16-7-3-12-22(26)31-23-13-4-8-17-27(23)33;2*1-7(2,3,4,5)6/h1-8,10-17,28-29H,9,18-19H2;;/q+2;2*-1/t28-,29-;;/m1../s1