3-cyano-4-methyl-benzenesulfonic acid

Systemtic Name: 3-cyano-4-methyl-benzenesulfonic acid Openeye Name: 3-cyano-4-methyl-benzenesulfonic acid CAS Name: 3-cyano-4-methylbenzenesulfonic acid IUPAC Name: 3-cyano-4-methylbenzenesulfonic acid Traditional Name: 3-cyano-4-methyl-besylic acid Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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