3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]phthalide Formula: C17H11F3O3 MolecularWeight: 320.26265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3O3/c18-17(19,20)11-5-3-4-10(8-11)14(21)9-15-12-6-1-2-7-13(12)16(22)23-15/h1-8,15H,9H2