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

Systemtic Name: dialuminum (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate Openeye Name: dialuminum (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate CAS Name: dialuminum (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate IUPAC Name: dialuminum (2,3,4,5,6-pentasulfonatooxycyclohexyl) sulfate Traditional Name: dialuminum (2,3,4,5,6-pentasulfatocyclohexyl) sulfate Formula: C6H6Al2O24S6 MolecularWeight: 708.450516

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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-].[Al+3].[Al+3]

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-].[Al+3].[Al+3]

InChI

InChI=1S/C6H12O24S6.2Al/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;2*+3/p-6