5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium diperchlorate

Systemtic Name: 5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium diperchlorate Openeye Name: 5-[(1S,2R)-1-butyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium diperchlorate CAS Name: 5-[(5S,6R)-6-(5-thianthren-5-iumyl)decan-5-yl]thianthren-5-ium diperchlorate IUPAC Name: 5-[(5S,6R)-6-thianthren-5-ium-5-yldecan-5-yl]thianthren-5-ium diperchlorate Traditional Name: 5-[(1S,2R)-1-butyl-2-thianthren-5-ium-5-yl-hexyl]thianthren-5-ium diperchlorate Formula: C34H36Cl2O8S4 MolecularWeight: 771.81084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)[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](CCCC)[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/C34H36S4.2ClHO4/c1-3-5-19-33(37-29-21-11-7-15-25(29)35-26-16-8-12-22-30(26)37)34(20-6-4-2)38-31-23-13-9-17-27(31)36-28-18-10-14-24-32(28)38;2*2-1(3,4)5/h7-18,21-24,33-34H,3-6,19-20H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t33-,34+;;