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3-cyano-5-(trifluoromethyloxy)benzoic acid

3-cyano-5-(trifluoromethyloxy)benzoic acid

Systemtic Name:3-cyano-5-(trifluoromethyloxy)benzoic acid
Openeye Name:3-cyano-5-(trifluoromethoxy)benzoic acid
CAS Name:3-cyano-5-(trifluoromethoxy)benzoic acid
IUPAC Name:3-cyano-5-(trifluoromethoxy)benzoic acid
Traditional Name:3-cyano-5-(trifluoromethoxy)benzoic acid
Formula: C9H4F3NO3
MolecularWeight: 231.12817
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)OC(F)(F)F)C#N


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)OC(F)(F)F)C#N


InChI

InChI=1S/C9H4F3NO3/c10-9(11,12)16-7-2-5(4-13)1-6(3-7)8(14)15/h1-3H,(H,14,15)


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