5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium diperchlorate

Systemtic Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium diperchlorate CAS Name: 5-[(1R,2R)-4-methyl-2-(5-thianthren-5-iumyl)cyclohexyl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1R,2R)-4-methyl-2-thianthren-5-ium-5-yl-cyclohexyl]thianthren-5-ium diperchlorate Formula: C31H28Cl2O8S4 MolecularWeight: 727.71522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(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

CC1CC[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/C31H28S4.2ClHO4/c1-21-18-19-30(34-26-14-6-2-10-22(26)32-23-11-3-7-15-27(23)34)31(20-21)35-28-16-8-4-12-24(28)33-25-13-5-9-17-29(25)35;2*2-1(3,4)5/h2-17,21,30-31H,18-20H2,1H3;2*(H,2,3,4,5)/q+2;;/p-2/t21?,30-,31-;;/m1../s1