[1,1,1-tris(fluoranyl)-2-oxidanylidene-nonan-3-yl] benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-2-oxidanylidene-nonan-3-yl] benzoate Openeye Name: 1-(2,2,2-trifluoroacetyl)heptyl benzoate CAS Name: benzoic acid (1,1,1-trifluoro-2-oxononan-3-yl) ester IUPAC Name: (1,1,1-trifluoro-2-oxononan-3-yl) benzoate Traditional Name: benzoic acid 1-(2,2,2-trifluoroacetyl)heptyl ester Formula: C16H19F3O3 MolecularWeight: 316.31547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3O3/c1-2-3-4-8-11-13(14(20)16(17,18)19)22-15(21)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3