5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium diperchlorate

Systemtic Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1R,2S)-1-ethyl-2-thianthren-5-ium-5-yl-propyl]thianthren-5-ium diperchlorate CAS Name: 5-[(2S,3R)-2-(5-thianthren-5-iumyl)pentan-3-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylpentan-3-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1R,2S)-1-ethyl-2-thianthren-5-ium-5-yl-propyl]thianthren-5-ium diperchlorate Formula: C29H26Cl2O8S4 MolecularWeight: 701.67794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)[S+]4C5=CC=CC=C5SC6=CC=CC=C64.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[C@H]([C@H](C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31)[S+]4C5=CC=CC=C5SC6=CC=CC=C64.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H26S4.2ClHO4/c1-3-25(33-28-18-10-6-14-23(28)31-24-15-7-11-19-29(24)33)20(2)32-26-16-8-4-12-21(26)30-22-13-5-9-17-27(22)32;2*2-1(3,4)5/h4-20,25H,3H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t20-,25+;;/m0../s1