sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate

Systemtic Name: sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate Openeye Name: sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate CAS Name: sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate IUPAC Name: sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate Traditional Name: sodium 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butyrate Formula: C17H12F2NNaO2 MolecularWeight: 323.269256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(C#N)C(CC(=O)[O-])C2=CC=C(C=C2)F.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)F)C(C#N)C(CC(=O)[O-])C2=CC=C(C=C2)F.[Na+]

InChI

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