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

Systemtic Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylhexan-3-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2R)-1-methyl-2-thianthren-5-ium-5-yl-pentyl]thianthren-5-ium diperchlorate CAS Name: 5-[(2S,3R)-2-(5-thianthren-5-iumyl)hexan-3-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(2S,3R)-2-thianthren-5-ium-5-ylhexan-3-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2R)-1-methyl-2-thianthren-5-ium-5-yl-pentyl]thianthren-5-ium diperchlorate Formula: C30H28Cl2O8S4 MolecularWeight: 715.70452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCC[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/C30H28S4.2ClHO4/c1-3-12-26(34-29-19-10-6-15-24(29)32-25-16-7-11-20-30(25)34)21(2)33-27-17-8-4-13-22(27)31-23-14-5-9-18-28(23)33;2*2-1(3,4)5/h4-11,13-21,26H,3,12H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t21-,26+;;/m0../s1