5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylate

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylate Openeye Name: 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylate CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-furancarboxylate IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylate Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-furoate Formula: C13H5F6O3- MolecularWeight: 323.167419

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H6F6O3/c14-12(15,16)7-3-6(4-8(5-7)13(17,18)19)9-1-2-10(22-9)11(20)21/h1-5H,(H,20,21)/p-1