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

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium dihexafluorophosphate Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium dihexafluorophosphate CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cycloheptyl]thianthren-5-ium dihexafluorophosphate IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium dihexafluorophosphate Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium dihexafluorophosphate Formula: C31H28F12P2S4 MolecularWeight: 818.74238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)[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

C1CC[C@H]([C@@H](CC1)[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/C31H28S4.2F6P/c1-2-20-30(34-26-16-8-4-12-22(26)32-23-13-5-9-17-27(23)34)31(21-3-1)35-28-18-10-6-14-24(28)33-25-15-7-11-19-29(25)35;2*1-7(2,3,4,5)6/h4-19,30-31H,1-3,20-21H2;;/q+2;2*-1/t30-,31-;;/m1../s1