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

Systemtic Name: hexyl 4-[2-fluoranyl-4-(4-propylcyclohexyl)phenyl]benzoate Openeye Name: hexyl 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoate CAS Name: 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoate Traditional Name: 4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzoic acid hexyl ester Formula: C28H37FO2 MolecularWeight: 424.590583

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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)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H37FO2/c1-3-5-6-7-19-31-28(30)24-15-13-23(14-16-24)26-18-17-25(20-27(26)29)22-11-9-21(8-4-2)10-12-22/h13-18,20-22H,3-12,19H2,1-2H3