[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-octylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-octylphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-octylphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C28H33F2NO2 MolecularWeight: 453.563926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H33F2NO2/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)28(32)33-25-18-17-24(19-31)26(29)27(25)30/h9-12,17-18,22-23H,2-8,13-16H2,1H3