tripotassium 3,4-bis(oxidanyl)-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: tripotassium 3,4-bis(oxidanyl)-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: tripotassium 3,4-dihydroxy-4-oxo-2-sulfonato-butanoate CAS Name: tripotassium 3,4-dihydroxy-4-oxo-2-sulfonatobutanoate IUPAC Name: tripotassium 3,4-dihydroxy-4-oxo-2-sulfonatobutanoate Traditional Name: tripotassium 3,4-dihydroxy-4-keto-2-sulfonato-butyrate Formula: C12H12K3O24S3-3 MolecularWeight: 753.69918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H6O8S.3K/c3*5-1(3(6)7)2(4(8)9)13(10,11)12;;;/h3*1-2,5H,(H,6,7)(H,8,9)(H,10,11,12);;;/q;;;3*+1/p-6