octyl 4-cyanobenzoate

Systemtic Name: octyl 4-cyanobenzoate Openeye Name: octyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid octyl ester IUPAC Name: octyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid octyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3