pentan-2-yl 3-fluoranyl-4-oxidanyl-benzoate

Systemtic Name: pentan-2-yl 3-fluoranyl-4-oxidanyl-benzoate Openeye Name: 1-methylbutyl 3-fluoro-4-hydroxy-benzoate CAS Name: 3-fluoro-4-hydroxybenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-fluoro-4-hydroxybenzoate Traditional Name: 3-fluoro-4-hydroxy-benzoic acid 1-methylbutyl ester Formula: C12H15FO3 MolecularWeight: 226.244103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=CC(=C(C=C1)O)F

Isomeric SMILES

CCCC(C)OC(=O)C1=CC(=C(C=C1)O)F

InChI

InChI=1S/C12H15FO3/c1-3-4-8(2)16-12(15)9-5-6-11(14)10(13)7-9/h5-8,14H,3-4H2,1-2H3