4,4-dimethyl-3-[2,2,2-tris(fluoranyl)ethoxy]-3H-isochromen-1-one

Systemtic Name: 4,4-dimethyl-3-[2,2,2-tris(fluoranyl)ethoxy]-3H-isochromen-1-one Openeye Name: 4,4-dimethyl-3-(2,2,2-trifluoroethoxy)isochroman-1-one CAS Name: 4,4-dimethyl-3-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 4,4-dimethyl-3-(2,2,2-trifluoroethoxy)-3H-isochromen-1-one Traditional Name: 4,4-dimethyl-3-(2,2,2-trifluoroethoxy)isochroman-1-one Formula: C13H13F3O3 MolecularWeight: 274.23573

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C2=CC=CC=C21)OCC(F)(F)F)C

Isomeric SMILES

CC1(C(OC(=O)C2=CC=CC=C21)OCC(F)(F)F)C

InChI

InChI=1S/C13H13F3O3/c1-12(2)9-6-4-3-5-8(9)10(17)19-11(12)18-7-13(14,15)16/h3-6,11H,7H2,1-2H3