(4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-octylphenyl)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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