4-cyano-4,4-bis(4-fluorophenyl)butanoate

Systemtic Name: 4-cyano-4,4-bis(4-fluorophenyl)butanoate Openeye Name: 4-cyano-4,4-bis(4-fluorophenyl)butanoate CAS Name: 4-cyano-4,4-bis(4-fluorophenyl)butanoate IUPAC Name: 4-cyano-4,4-bis(4-fluorophenyl)butanoate Traditional Name: 4-cyano-4,4-bis(4-fluorophenyl)butyrate Formula: C17H12F2NO2- MolecularWeight: 300.279486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC(=O)[O-])(C#N)C2=CC=C(C=C2)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCC(=O)[O-])(C#N)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C17H13F2NO2/c18-14-5-1-12(2-6-14)17(11-20,10-9-16(21)22)13-3-7-15(19)8-4-13/h1-8H,9-10H2,(H,21,22)/p-1