2-cyano-3,4-dimethyl-benzenesulfonic acid

Systemtic Name: 2-cyano-3,4-dimethyl-benzenesulfonic acid Openeye Name: 2-cyano-3,4-dimethyl-benzenesulfonic acid CAS Name: 2-cyano-3,4-dimethylbenzenesulfonic acid IUPAC Name: 2-cyano-3,4-dimethylbenzenesulfonic acid Traditional Name: 2-cyano-3,4-dimethyl-besylic acid Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)C#N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)C#N)C

InChI

InChI=1S/C9H9NO3S/c1-6-3-4-9(14(11,12)13)8(5-10)7(6)2/h3-4H,1-2H3,(H,11,12,13)