1-[2,2,3,3-tetrakis(fluoranyl)propoxy]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[2,2,3,3-tetrakis(fluoranyl)propoxy]isoquinoline-3-carboxylic acid Openeye Name: 1-(2,2,3,3-tetrafluoropropoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(2,2,3,3-tetrafluoropropoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2,2,3,3-tetrafluoropropoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(2,2,3,3-tetrafluoropropoxy)isoquinoline-3-carboxylic acid Formula: C13H9F4NO3 MolecularWeight: 303.209073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F4NO3/c14-12(15)13(16,17)6-21-10-8-4-2-1-3-7(8)5-9(18-10)11(19)20/h1-5,12H,6H2,(H,19,20)