5-butyl-6-[4-(trifluoromethyl)phenyl]-1-benzofuran-4,7-dione

Systemtic Name: 5-butyl-6-[4-(trifluoromethyl)phenyl]-1-benzofuran-4,7-dione Openeye Name: 5-butyl-6-[4-(trifluoromethyl)phenyl]benzofuran-4,7-dione CAS Name: 5-butyl-6-[4-(trifluoromethyl)phenyl]benzofuran-4,7-dione IUPAC Name: 5-butyl-6-[4-(trifluoromethyl)phenyl]-1-benzofuran-4,7-dione Traditional Name: 5-butyl-6-[4-(trifluoromethyl)phenyl]benzofuran-4,7-quinone Formula: C19H15F3O3 MolecularWeight: 348.31581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C2=C(C1=O)C=CO2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C(=O)C2=C(C1=O)C=CO2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3O3/c1-2-3-4-13-15(11-5-7-12(8-6-11)19(20,21)22)17(24)18-14(16(13)23)9-10-25-18/h5-10H,2-4H2,1H3