3-methoxy-2-[4,4,4-tris(fluoranyl)butoxy]benzoic acid

Systemtic Name: 3-methoxy-2-[4,4,4-tris(fluoranyl)butoxy]benzoic acid Openeye Name: 3-methoxy-2-(4,4,4-trifluorobutoxy)benzoic acid CAS Name: 3-methoxy-2-(4,4,4-trifluorobutoxy)benzoic acid IUPAC Name: 3-methoxy-2-(4,4,4-trifluorobutoxy)benzoic acid Traditional Name: 3-methoxy-2-(4,4,4-trifluorobutoxy)benzoic acid Formula: C12H13F3O4 MolecularWeight: 278.22443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCCC(F)(F)F)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCCCC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H13F3O4/c1-18-9-5-2-4-8(11(16)17)10(9)19-7-3-6-12(13,14)15/h2,4-5H,3,6-7H2,1H3,(H,16,17)