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

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium dihexafluorophosphate Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium dihexafluorophosphate CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cyclohexyl]thianthren-5-ium dihexafluorophosphate IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium dihexafluorophosphate Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium dihexafluorophosphate Formula: C30H26F12P2S4 MolecularWeight: 804.7158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(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

C1CC[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/C30H26S4.2F6P/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)33(25)29-19-9-10-20-30(29)34-27-17-7-3-13-23(27)32-24-14-4-8-18-28(24)34;2*1-7(2,3,4,5)6/h1-8,11-18,29-30H,9-10,19-20H2;;/q+2;2*-1/t29-,30-;;/m1../s1