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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(3-fluoro-4-nonyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-nonylphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(3-fluoro-4-nonylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-nonyl-phenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C36H50FNO2 MolecularWeight: 547.786103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C36H50FNO2/c1-3-5-7-9-10-11-13-15-30-18-21-32(27-34(30)37)29-16-19-31(20-17-29)35(39)40-33-22-25-36(28-38,26-23-33)24-14-12-8-6-4-2/h16-21,27,33H,3-15,22-26H2,1-2H3