sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanoate

Systemtic Name: sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanoate Openeye Name: sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetate CAS Name: sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)-3-pyrazolyl]acetate IUPAC Name: sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetate Traditional Name: sodium 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetate Formula: C17H11ClFN2NaO2 MolecularWeight: 352.722613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(N=C2CC(=O)[O-])C3=CC=C(C=C3)F)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CN(N=C2CC(=O)[O-])C3=CC=C(C=C3)F)Cl.[Na+]

InChI

InChI=1S/C17H12ClFN2O2.Na/c18-12-3-1-11(2-4-12)15-10-21(20-16(15)9-17(22)23)14-7-5-13(19)6-8-14;/h1-8,10H,9H2,(H,22,23);/q;+1/p-1