(2-oxidanylidenechromen-7-yl) 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3,5-bis(trifluoromethyl)benzoate Openeye Name: (2-oxochromen-7-yl) 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (2-ketochromen-7-yl) ester Formula: C18H8F6O4 MolecularWeight: 402.244139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H8F6O4/c19-17(20,21)11-5-10(6-12(7-11)18(22,23)24)16(26)27-13-3-1-9-2-4-15(25)28-14(9)8-13/h1-8H