(2-bromanyl-4-fluoranyl-phenyl) octanoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) octanoate Openeye Name: (2-bromo-4-fluoro-phenyl) octanoate CAS Name: octanoic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) octanoate Traditional Name: caprylic acid (2-bromo-4-fluoro-phenyl) ester Formula: C14H18BrFO2 MolecularWeight: 317.193923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)F)Br

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C14H18BrFO2/c1-2-3-4-5-6-7-14(17)18-13-9-8-11(16)10-12(13)15/h8-10H,2-7H2,1H3