hexyl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate

Systemtic Name: hexyl 4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]benzoate Openeye Name: hexyl 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoate CAS Name: 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-butylcyclohexyl)-2-fluorophenyl]benzoate Traditional Name: 4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]benzoic acid hexyl ester Formula: C29H39FO2 MolecularWeight: 438.617163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3CCC(CC3)CCCC)F

InChI

InChI=1S/C29H39FO2/c1-3-5-7-8-20-32-29(31)25-16-14-24(15-17-25)27-19-18-26(21-28(27)30)23-12-10-22(11-13-23)9-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3