hexyl 2-[(E)-2-[4-(3-fluoranyl-1-benzofuran-2-yl)phenyl]ethenyl]benzoate

Systemtic Name: hexyl 2-[(E)-2-[4-(3-fluoranyl-1-benzofuran-2-yl)phenyl]ethenyl]benzoate Openeye Name: hexyl 2-[(E)-2-[4-(3-fluorobenzofuran-2-yl)phenyl]vinyl]benzoate CAS Name: 2-[(E)-2-[4-(3-fluoro-2-benzofuranyl)phenyl]ethenyl]benzoic acid hexyl ester IUPAC Name: hexyl 2-[(E)-2-[4-(3-fluoro-1-benzofuran-2-yl)phenyl]ethenyl]benzoate Traditional Name: 2-[(E)-2-[4-(3-fluorobenzofuran-2-yl)phenyl]vinyl]benzoic acid hexyl ester Formula: C29H27FO3 MolecularWeight: 442.521283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C=CC2=CC=C(C=C2)C3=C(C4=CC=CC=C4O3)F

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1/C=C/C2=CC=C(C=C2)C3=C(C4=CC=CC=C4O3)F

InChI

InChI=1S/C29H27FO3/c1-2-3-4-9-20-32-29(31)24-11-6-5-10-22(24)17-14-21-15-18-23(19-16-21)28-27(30)25-12-7-8-13-26(25)33-28/h5-8,10-19H,2-4,9,20H2,1H3/b17-14+