hexapotassium (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate

Systemtic Name: hexapotassium (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate Openeye Name: hexapotassium (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate CAS Name: hexapotassium (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate IUPAC Name: hexapotassium (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate Traditional Name: hexapotassium (2,3,4,5,6-pentasulfatocyclohexyl) sulfate Formula: C6H6K6O24S6 MolecularWeight: 889.07724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

C1(C(C(C(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C6H12O24S6.6K/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);;;;;;/q;6*+1/p-6