pentapotassium (3,4,5,6-tetrasulfonatooxyoxan-2-yl)methyl sulfate

Systemtic Name: pentapotassium (3,4,5,6-tetrasulfonatooxyoxan-2-yl)methyl sulfate Openeye Name: pentapotassium (3,4,5,6-tetrasulfonatooxytetrahydropyran-2-yl)methyl sulfate CAS Name: pentapotassium (3,4,5,6-tetrasulfonatooxy-2-oxanyl)methyl sulfate IUPAC Name: pentapotassium (3,4,5,6-tetrasulfonatooxyoxan-2-yl)methyl sulfate Traditional Name: pentapotassium (3,4,5,6-tetrasulfatotetrahydropyran-2-yl)methyl sulfate Formula: C6H7K5O21S5 MolecularWeight: 770.92368

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)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+]

Isomeric SMILES

C(C1C(C(C(C(O1)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+]

InChI

InChI=1S/C6H12O21S5.5K/c7-28(8,9)22-1-2-3(24-29(10,11)12)4(25-30(13,14)15)5(26-31(16,17)18)6(23-2)27-32(19,20)21;;;;;/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21);;;;;/q;5*+1/p-5