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

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium diperchlorate CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cyclopentyl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcyclopentyl]thianthren-5-ium diperchlorate Formula: C29H24Cl2O8S4 MolecularWeight: 699.66206

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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.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C29H24S4.2ClHO4/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*2-1(3,4)5/h1-8,10-17,28-29H,9,18-19H2;2*(H,2,3,4,5)/q+2;;/p-2/t28-,29-;;/m1../s1