(4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-octyl-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoro-4-octyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octylphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(3-fluoro-4-octylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octyl-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H48FNO2 MolecularWeight: 533.759523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C35H48FNO2/c1-3-5-7-9-10-12-14-29-17-20-31(26-33(29)36)28-15-18-30(19-16-28)34(38)39-32-21-24-35(27-37,25-22-32)23-13-11-8-6-4-2/h15-20,26,32H,3-14,21-25H2,1-2H3