potassium 3,4-dicarboxybenzenesulfonate hydrate

Systemtic Name: potassium 3,4-dicarboxybenzenesulfonate hydrate Openeye Name: potassium 3,4-dicarboxybenzenesulfonate hydrate CAS Name: potassium 3,4-dicarboxybenzenesulfonate hydrate IUPAC Name: potassium 3,4-dicarboxybenzenesulfonate hydrate Traditional Name: potassium 3,4-dicarboxybesylate hydrate Formula: C8H7KO8S MolecularWeight: 302.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.O.[K+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.O.[K+]

InChI

InChI=1S/C8H6O7S.K.H2O/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;1H2/q;+1;/p-1