2-fluoranylbutanoyl 3,4-bis(fluoranyl)-5-methoxy-benzoate

Systemtic Name: 2-fluoranylbutanoyl 3,4-bis(fluoranyl)-5-methoxy-benzoate Openeye Name: 2-fluorobutanoyl 3,4-difluoro-5-methoxy-benzoate CAS Name: 3,4-difluoro-5-methoxybenzoic acid (2-fluoro-1-oxobutyl) ester IUPAC Name: 2-fluorobutanoyl 3,4-difluoro-5-methoxybenzoate Traditional Name: 3,4-difluoro-5-methoxy-benzoic acid 2-fluorobutanoyl ester Formula: C12H11F3O4 MolecularWeight: 276.20855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3O4/c1-3-7(13)12(17)19-11(16)6-4-8(14)10(15)9(5-6)18-2/h4-5,7H,3H2,1-2H3