4-(2,6-ditert-butylthiopyrylium-4-yl)pyridin-1-ium diperchlorate

Systemtic Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)pyridin-1-ium diperchlorate Openeye Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)pyridin-1-ium diperchlorate CAS Name: 4-(2,6-ditert-butyl-4-thiopyryliumyl)pyridin-1-ium diperchlorate IUPAC Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)pyridin-1-ium diperchlorate Traditional Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)pyridin-1-ium diperchlorate Formula: C18H25Cl2NO8S MolecularWeight: 486.364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC=[NH+]C=C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC=[NH+]C=C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H24NS.2ClHO4/c1-17(2,3)15-11-14(13-7-9-19-10-8-13)12-16(20-15)18(4,5)6;2*2-1(3,4)5/h7-12H,1-6H3;2*(H,2,3,4,5)/q+1;;/p-1