(3-methyl-5-oxidanyl-phenyl) 2-cyanobenzenesulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 2-cyanobenzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)O

InChI

InChI=1S/C14H11NO4S/c1-10-6-12(16)8-13(7-10)19-20(17,18)14-5-3-2-4-11(14)9-15/h2-8,16H,1H3