2-methylpropyl 4-fluoranyl-3-oxidanylidene-octanoate

Systemtic Name: 2-methylpropyl 4-fluoranyl-3-oxidanylidene-octanoate Openeye Name: isobutyl 4-fluoro-3-oxo-octanoate CAS Name: 4-fluoro-3-oxooctanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-fluoro-3-oxooctanoate Traditional Name: 4-fluoro-3-keto-caprylic acid isobutyl ester Formula: C12H21FO3 MolecularWeight: 232.291743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CC(=O)OCC(C)C)F

Isomeric SMILES

CCCCC(C(=O)CC(=O)OCC(C)C)F

InChI

InChI=1S/C12H21FO3/c1-4-5-6-10(13)11(14)7-12(15)16-8-9(2)3/h9-10H,4-8H2,1-3H3