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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-hexylphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-hexylphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C26H29F2NO2 MolecularWeight: 425.510766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C26H29F2NO2/c1-2-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(30)31-23-16-15-22(17-29)24(27)25(23)28/h7-10,15-16,20-21H,2-6,11-14H2,1H3