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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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