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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-nonoxy-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoro-4-nonoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-nonoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-nonoxy-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C36H50FNO3 MolecularWeight: 563.785503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C36H50FNO3/c1-3-5-7-9-10-12-14-26-40-34-20-19-31(27-33(34)37)29-15-17-30(18-16-29)35(39)41-32-21-24-36(28-38,25-22-32)23-13-11-8-6-4-2/h15-20,27,32H,3-14,21-26H2,1-2H3