(2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate; sodium

Systemtic Name: (2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate; sodium Openeye Name: (2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate; sodium CAS Name: sodium; sulfuric acid (2,3,4,5,6-pentasulfooxycyclohexyl) ester IUPAC Name: (2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate; sodium Traditional Name: sodium; sulfuric acid (2,3,4,5,6-pentasulfoxycyclohexyl) ester Formula: C6H12Na6O24S6 MolecularWeight: 798.4737

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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.[Na].[Na].[Na].[Na].[Na].[Na]

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.[Na].[Na].[Na].[Na].[Na].[Na]

InChI

InChI=1S/C6H12O24S6.6Na/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);;;;;;