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

Systemtic Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium diperchlorate CAS Name: 5-[(1R,2R)-2-(5-thianthren-5-iumyl)cycloheptyl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1R,2R)-2-thianthren-5-ium-5-ylcycloheptyl]thianthren-5-ium diperchlorate Formula: C31H28Cl2O8S4 MolecularWeight: 727.71522

Click to see the large picture

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

Isomeric SMILES

C1CC[C@H]([C@@H](CC1)[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/C31H28S4.2ClHO4/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*2-1(3,4)5/h4-19,30-31H,1-3,20-21H2;2*(H,2,3,4,5)/q+2;;/p-2/t30-,31-;;/m1../s1