3-cyano-4-hexoxy-benzoic acid

Systemtic Name: 3-cyano-4-hexoxy-benzoic acid Openeye Name: 3-cyano-4-hexoxy-benzoic acid CAS Name: 3-cyano-4-hexoxybenzoic acid IUPAC Name: 3-cyano-4-hexoxybenzoic acid Traditional Name: 3-cyano-4-hexoxy-benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C14H17NO3/c1-2-3-4-5-8-18-13-7-6-11(14(16)17)9-12(13)10-15/h6-7,9H,2-5,8H2,1H3,(H,16,17)