4-methylbenzenesulfonate; 1-methylpyridin-1-ium-3-carboxylic acid

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-3-carboxylic acid Openeye Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-3-carboxylic acid CAS Name: 4-methylbenzenesulfonate; 1-methyl-3-pyridin-1-iumcarboxylic acid IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyridin-1-ium-3-carboxylic acid Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid tosylate Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C7H7NO2.C7H8O3S/c1-8-4-2-3-6(5-8)7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)