2-cyano-5-methyl-benzenesulfonic acid; potassium

Systemtic Name: 2-cyano-5-methyl-benzenesulfonic acid; potassium Openeye Name: 2-cyano-5-methyl-benzenesulfonic acid; potassium CAS Name: 2-cyano-5-methylbenzenesulfonic acid; potassium IUPAC Name: 2-cyano-5-methylbenzenesulfonic acid; potassium Traditional Name: 2-cyano-5-methyl-besylic acid; potassium Formula: C8H7KNO3S MolecularWeight: 236.30938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C#N)S(=O)(=O)O.[K]

Isomeric SMILES

CC1=CC(=C(C=C1)C#N)S(=O)(=O)O.[K]

InChI

InChI=1S/C8H7NO3S.K/c1-6-2-3-7(5-9)8(4-6)13(10,11)12;/h2-4H,1H3,(H,10,11,12);