5-[(1S,2S)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate

Systemtic Name: 5-[(1S,2S)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2S)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate CAS Name: 5-[(1S,2S)-2-(5-thianthren-5-iumyl)cyclohexyl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(1S,2S)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2S)-2-thianthren-5-ium-5-ylcyclohexyl]thianthren-5-ium diperchlorate Formula: C30H26Cl2O8S4 MolecularWeight: 713.68864

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

Isomeric SMILES

C1CC[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/C30H26S4.2ClHO4/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*2-1(3,4)5/h1-8,11-18,29-30H,9-10,19-20H2;2*(H,2,3,4,5)/q+2;;/p-2/t29-,30-;;/m0../s1