[4-cyano-2,3-bis(fluoranyl)phenyl] 4-octanoyloxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-octanoyloxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-octanoyloxybenzoate CAS Name: 4-(1-oxooctoxy)benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-octanoyloxybenzoate Traditional Name: 4-caprylyloxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C22H21F2NO4 MolecularWeight: 401.403246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C22H21F2NO4/c1-2-3-4-5-6-7-19(26)28-17-11-8-15(9-12-17)22(27)29-18-13-10-16(14-25)20(23)21(18)24/h8-13H,2-7H2,1H3