octan-2-yl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: octan-2-yl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: 1-methylheptyl 4-(2-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-pentylphenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(2-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-2-fluoro-phenyl)benzoic acid 1-methylheptyl ester Formula: C26H35FO2 MolecularWeight: 398.553303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCCCC)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCCCC)F

InChI

InChI=1S/C26H35FO2/c1-4-6-8-10-11-20(3)29-26(28)23-16-14-22(15-17-23)24-18-13-21(19-25(24)27)12-9-7-5-2/h13-20H,4-12H2,1-3H3