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

Systemtic Name: hexyl 4-[2-fluoranyl-4-(4-pentylcyclohexyl)phenyl]benzoate Openeye Name: hexyl 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate CAS Name: 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-amylcyclohexyl)-2-fluoro-phenyl]benzoic acid hexyl ester Formula: C30H41FO2 MolecularWeight: 452.643743

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H41FO2/c1-3-5-7-9-21-33-30(32)26-17-15-25(16-18-26)28-20-19-27(22-29(28)31)24-13-11-23(12-14-24)10-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3