ethyl 3-fluoranyl-2-octyl-benzoate

Systemtic Name: ethyl 3-fluoranyl-2-octyl-benzoate Openeye Name: ethyl 3-fluoro-2-octyl-benzoate CAS Name: 3-fluoro-2-octylbenzoic acid ethyl ester IUPAC Name: ethyl 3-fluoro-2-octylbenzoate Traditional Name: 3-fluoro-2-octyl-benzoic acid ethyl ester Formula: C17H25FO2 MolecularWeight: 280.377603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC=C1F)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=C(C=CC=C1F)C(=O)OCC

InChI

InChI=1S/C17H25FO2/c1-3-5-6-7-8-9-11-14-15(17(19)20-4-2)12-10-13-16(14)18/h10,12-13H,3-9,11H2,1-2H3