(4-cyano-2-fluoranyl-phenyl) 4-octylbenzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl) 4-octylbenzoate Openeye Name: (4-cyano-2-fluoro-phenyl) 4-octylbenzoate CAS Name: 4-octylbenzoic acid (4-cyano-2-fluorophenyl) ester IUPAC Name: (4-cyano-2-fluorophenyl) 4-octylbenzoate Traditional Name: 4-octylbenzoic acid (4-cyano-2-fluoro-phenyl) ester Formula: C22H24FNO2 MolecularWeight: 353.429863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C22H24FNO2/c1-2-3-4-5-6-7-8-17-9-12-19(13-10-17)22(25)26-21-14-11-18(16-24)15-20(21)23/h9-15H,2-8H2,1H3