3-tert-butyl-5-cyano-benzoic acid

Systemtic Name: 3-tert-butyl-5-cyano-benzoic acid Openeye Name: 3-tert-butyl-5-cyano-benzoic acid CAS Name: 3-tert-butyl-5-cyanobenzoic acid IUPAC Name: 3-tert-butyl-5-cyanobenzoic acid Traditional Name: 3-tert-butyl-5-cyano-benzoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C#N

InChI

InChI=1S/C12H13NO2/c1-12(2,3)10-5-8(7-13)4-9(6-10)11(14)15/h4-6H,1-3H3,(H,14,15)