hexyl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: hexyl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: hexyl 4-(2-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-pentylphenyl)benzoic acid hexyl ester IUPAC Name: hexyl 4-(2-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-2-fluoro-phenyl)benzoic acid hexyl ester Formula: C24H31FO2 MolecularWeight: 370.500143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FO2/c1-3-5-7-9-17-27-24(26)21-14-12-20(13-15-21)22-16-11-19(18-23(22)25)10-8-6-4-2/h11-16,18H,3-10,17H2,1-2H3