tripotassium 4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: tripotassium 4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: tripotassium 4-hydroxy-4-oxo-3-sulfonato-butanoate CAS Name: tripotassium 4-hydroxy-4-oxo-3-sulfonatobutanoate IUPAC Name: tripotassium 4-hydroxy-4-oxo-3-sulfonatobutanoate Traditional Name: tripotassium 4-hydroxy-4-keto-3-sulfonato-butyrate Formula: C12H12K3O21S3-3 MolecularWeight: 705.70098

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].C(C(C(=O)O)S(=O)(=O)[O-])C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/3C4H6O7S.3K/c3*5-3(6)1-2(4(7)8)12(9,10)11;;;/h3*2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;;;3*+1/p-6