3-cyano-4-hexyl-benzoic acid

Systemtic Name: 3-cyano-4-hexyl-benzoic acid Openeye Name: 3-cyano-4-hexyl-benzoic acid CAS Name: 3-cyano-4-hexylbenzoic acid IUPAC Name: 3-cyano-4-hexylbenzoic acid Traditional Name: 3-cyano-4-hexyl-benzoic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C14H17NO2/c1-2-3-4-5-6-11-7-8-12(14(16)17)9-13(11)10-15/h7-9H,2-6H2,1H3,(H,16,17)