4-butyl-3-cyano-benzoic acid

Systemtic Name: 4-butyl-3-cyano-benzoic acid Openeye Name: 4-butyl-3-cyano-benzoic acid CAS Name: 4-butyl-3-cyanobenzoic acid IUPAC Name: 4-butyl-3-cyanobenzoic acid Traditional Name: 4-butyl-3-cyano-benzoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C12H13NO2/c1-2-3-4-9-5-6-10(12(14)15)7-11(9)8-13/h5-7H,2-4H2,1H3,(H,14,15)