8-pentyl-2-(trifluoromethyl)-6-(trifluoromethyloxy)-2H-chromene-3-carboxylic acid

Systemtic Name: 8-pentyl-2-(trifluoromethyl)-6-(trifluoromethyloxy)-2H-chromene-3-carboxylic acid Openeye Name: 8-pentyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 8-pentyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 8-pentyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 8-amyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C17H16F6O4 MolecularWeight: 398.296959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC(=C1)OC(F)(F)F)C=C(C(O2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCCC1=C2C(=CC(=C1)OC(F)(F)F)C=C(C(O2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H16F6O4/c1-2-3-4-5-9-6-11(27-17(21,22)23)7-10-8-12(15(24)25)14(16(18,19)20)26-13(9)10/h6-8,14H,2-5H2,1H3,(H,24,25)