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

Systemtic Name: 5-[(2S,3R)-3-thianthren-5-ium-5-ylbutan-2-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2R)-1-methyl-2-thianthren-5-ium-5-yl-propyl]thianthren-5-ium diperchlorate CAS Name: 5-[(2S,3R)-3-(5-thianthren-5-iumyl)butan-2-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(2S,3R)-3-thianthren-5-ium-5-ylbutan-2-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2R)-1-methyl-2-thianthren-5-ium-5-yl-propyl]thianthren-5-ium diperchlorate Formula: C28H24Cl2O8S4 MolecularWeight: 687.65136

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

C[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/C28H24S4.2ClHO4/c1-19(31-25-15-7-3-11-21(25)29-22-12-4-8-16-26(22)31)20(2)32-27-17-9-5-13-23(27)30-24-14-6-10-18-28(24)32;2*2-1(3,4)5/h3-20H,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t19-,20+;;