5,5,5-tris(fluoranyl)-4-oxidanylidene-2-(phenylmethyl)pentanoate

Systemtic Name: 5,5,5-tris(fluoranyl)-4-oxidanylidene-2-(phenylmethyl)pentanoate Openeye Name: 2-benzyl-5,5,5-trifluoro-4-oxo-pentanoate CAS Name: 5,5,5-trifluoro-4-oxo-2-(phenylmethyl)pentanoate IUPAC Name: 2-benzyl-5,5,5-trifluoro-4-oxopentanoate Traditional Name: 2-benzyl-5,5,5-trifluoro-4-keto-valerate Formula: C12H10F3O3- MolecularWeight: 259.20121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C12H11F3O3/c13-12(14,15)10(16)7-9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18)/p-1