sodium (E)-[5-oxidanylidene-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[5-oxidanylidene-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[5-oxo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[5-oxo-3-phenyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[5-oxo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-phenyl-1-[3-(trifluoromethyl)phenyl]-2-pyrazolin-4-ylidene]methanolate Formula: C17H10F3N2NaO2 MolecularWeight: 354.25848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=C[O-])C3=CC=CC(=C3)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/[O-])C3=CC=CC(=C3)C(F)(F)F.[Na+]

InChI

InChI=1S/C17H11F3N2O2.Na/c18-17(19,20)12-7-4-8-13(9-12)22-16(24)14(10-23)15(21-22)11-5-2-1-3-6-11;/h1-10,23H;/q;+1/p-1/b14-10+;