5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-2-benzofuran-1-one

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-2-benzofuran-1-one Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-isobenzofuran-1-one CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-1-isobenzofuranone IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-2-benzofuran-1-one Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethyl-3-ethynyl-phthalide Formula: C19H12ClF3O3 MolecularWeight: 380.74499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(=O)O1)C#C

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(=O)O1)C#C

InChI

InChI=1S/C19H12ClF3O3/c1-3-18(4-2)14-10-12(6-7-13(14)17(24)26-18)25-16-8-5-11(9-15(16)20)19(21,22)23/h1,5-10H,4H2,2H3