5-[(3S,4R)-3-thianthren-5-ium-5-yloctan-4-yl]thianthren-5-ium diperchlorate

Systemtic Name: 5-[(3S,4R)-3-thianthren-5-ium-5-yloctan-4-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2R)-1-ethyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium diperchlorate CAS Name: 5-[(3S,4R)-3-(5-thianthren-5-iumyl)octan-4-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(3S,4R)-3-thianthren-5-ium-5-yloctan-4-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2R)-1-ethyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium diperchlorate Formula: C32H32Cl2O8S4 MolecularWeight: 743.75768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)[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

CCCC[C@H]([C@H](CC)[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/C32H32S4.2ClHO4/c1-3-5-18-32(36-30-21-12-8-16-25(30)34-26-17-9-13-22-31(26)36)27(4-2)35-28-19-10-6-14-23(28)33-24-15-7-11-20-29(24)35;2*2-1(3,4)5/h6-17,19-22,27,32H,3-5,18H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t27-,32+;;/m0../s1