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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decylphenyl)-3-fluoranyl-benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decylphenyl)-3-fluoro-benzoate CAS Name: 4-(4-decylphenyl)-3-fluorobenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-decylphenyl)-3-fluorobenzoate Traditional Name: 4-(4-decylphenyl)-3-fluoro-benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C37H52FNO2 MolecularWeight: 561.812683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C37H52FNO2/c1-3-5-7-9-10-11-12-14-16-30-17-19-31(20-18-30)34-22-21-32(28-35(34)38)36(40)41-33-23-26-37(29-39,27-24-33)25-15-13-8-6-4-2/h17-22,28,33H,3-16,23-27H2,1-2H3