ethyl 4,4,4-tris(fluoranyl)-2-[(4-iodophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-2-[(4-iodophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4,4,4-trifluoro-2-[(4-iodophenyl)methyl]-3-oxo-butanoate CAS Name: 4,4,4-trifluoro-2-[(4-iodophenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-2-[(4-iodophenyl)methyl]-3-oxobutanoate Traditional Name: 4,4,4-trifluoro-2-(4-iodobenzyl)-3-keto-butyric acid ethyl ester Formula: C13H12F3IO3 MolecularWeight: 400.13226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)I)C(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)I)C(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3IO3/c1-2-20-12(19)10(11(18)13(14,15)16)7-8-3-5-9(17)6-4-8/h3-6,10H,2,7H2,1H3