hexyl 4-cyanobenzoate

Systemtic Name: hexyl 4-cyanobenzoate Openeye Name: hexyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid hexyl ester IUPAC Name: hexyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid hexyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-2-3-4-5-10-17-14(16)13-8-6-12(11-15)7-9-13/h6-9H,2-5,10H2,1H3