sodium (E)-1,1,1-tris(fluoranyl)-4-(4-imidazol-1-ylphenyl)-4-oxidanylidene-but-2-en-2-olate

Systemtic Name: sodium (E)-1,1,1-tris(fluoranyl)-4-(4-imidazol-1-ylphenyl)-4-oxidanylidene-but-2-en-2-olate Openeye Name: sodium (E)-1,1,1-trifluoro-4-(4-imidazol-1-ylphenyl)-4-oxo-but-2-en-2-olate CAS Name: sodium (E)-1,1,1-trifluoro-4-[4-(1-imidazolyl)phenyl]-4-oxo-2-buten-2-olate IUPAC Name: sodium (E)-1,1,1-trifluoro-4-(4-imidazol-1-ylphenyl)-4-oxobut-2-en-2-olate Traditional Name: sodium (E)-1,1,1-trifluoro-4-(4-imidazol-1-ylphenyl)-4-keto-but-2-en-2-olate Formula: C13H8F3N2NaO2 MolecularWeight: 304.1998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=C(C(F)(F)F)[O-])N2C=CN=C2.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C(\C(F)(F)F)/[O-])N2C=CN=C2.[Na+]

InChI

InChI=1S/C13H9F3N2O2.Na/c14-13(15,16)12(20)7-11(19)9-1-3-10(4-2-9)18-6-5-17-8-18;/h1-8,20H;/q;+1/p-1/b12-7+;