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

Systemtic Name: 5-[(3S,4R)-4-thianthren-5-ium-5-ylhexan-3-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2R)-1-ethyl-2-thianthren-5-ium-5-yl-butyl]thianthren-5-ium diperchlorate CAS Name: 5-[(3S,4R)-4-(5-thianthren-5-iumyl)hexan-3-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(3S,4R)-4-thianthren-5-ium-5-ylhexan-3-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2R)-1-ethyl-2-thianthren-5-ium-5-yl-butyl]thianthren-5-ium diperchlorate Formula: C30H28Cl2O8S4 MolecularWeight: 715.70452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CC[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/C30H28S4.2ClHO4/c1-3-25(33-27-17-9-5-13-21(27)31-22-14-6-10-18-28(22)33)26(4-2)34-29-19-11-7-15-23(29)32-24-16-8-12-20-30(24)34;2*2-1(3,4)5/h5-20,25-26H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t25-,26+;;