ethyl (1S,2S)-2-(2-ethoxy-2-oxidanylidene-ethyl)-2-(trifluoromethyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-(2-ethoxy-2-oxidanylidene-ethyl)-2-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2S)-2-(2-ethoxy-2-oxo-ethyl)-2-(trifluoromethyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,2S)-2-(2-ethoxy-2-oxoethyl)-2-(trifluoromethyl)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-(2-ethoxy-2-oxoethyl)-2-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,2S)-2-(2-ethoxy-2-keto-ethyl)-2-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C14H19F3O4 MolecularWeight: 308.29347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C=CCCC1C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C[C@@]1(C=CCC[C@@H]1C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C14H19F3O4/c1-3-20-11(18)9-13(14(15,16)17)8-6-5-7-10(13)12(19)21-4-2/h6,8,10H,3-5,7,9H2,1-2H3/t10-,13-/m1/s1