4H-isoquinoline-1,3-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4H-isoquinoline-1,3-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4H-isoquinoline-1,3-dione; 2,2,2-trifluoroacetic acid CAS Name: 4H-isoquinoline-1,3-dione; 2,2,2-trifluoroacetic acid IUPAC Name: 4H-isoquinoline-1,3-dione; 2,2,2-trifluoroacetic acid Traditional Name: 4H-isoquinoline-1,3-quinone; 2,2,2-trifluoroacetic acid Formula: C11H8F3NO4 MolecularWeight: 275.18073

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)NC1=O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)NC1=O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H7NO2.C2HF3O2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8;3-2(4,5)1(6)7/h1-4H,5H2,(H,10,11,12);(H,6,7)