1-[2,2,2-tris(fluoranyl)ethoxy]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[2,2,2-tris(fluoranyl)ethoxy]isoquinoline-3-carboxylic acid Openeye Name: 1-(2,2,2-trifluoroethoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(2,2,2-trifluoroethoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2,2,2-trifluoroethoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(2,2,2-trifluoroethoxy)isoquinoline-3-carboxylic acid Formula: C12H8F3NO3 MolecularWeight: 271.19203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2OCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2OCC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H8F3NO3/c13-12(14,15)6-19-10-8-4-2-1-3-7(8)5-9(16-10)11(17)18/h1-5H,6H2,(H,17,18)