potassium 3-methyl-2-sulfo-benzoate

Systemtic Name: potassium 3-methyl-2-sulfo-benzoate Openeye Name: potassium 3-methyl-2-sulfo-benzoate CAS Name: potassium 3-methyl-2-sulfobenzoate IUPAC Name: potassium 3-methyl-2-sulfobenzoate Traditional Name: potassium 3-methyl-2-sulfo-benzoate Formula: C8H7KO5S MolecularWeight: 254.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S(=O)(=O)O)C(=O)[O-].[K+]

Isomeric SMILES

CC1=CC=CC(=C1S(=O)(=O)O)C(=O)[O-].[K+]

InChI

InChI=1S/C8H8O5S.K/c1-5-3-2-4-6(8(9)10)7(5)14(11,12)13;/h2-4H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1