sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanoate

Systemtic Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanoate Openeye Name: sodium 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetate CAS Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-3-pyrazolyl]acetate IUPAC Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetate Traditional Name: sodium 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetate Formula: C21H21N2NaO2 MolecularWeight: 356.39341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)[O-].[Na+]

InChI

InChI=1S/C21H22N2O2.Na/c1-15(2)14-23-18(13-19(24)25)20(16-9-5-3-6-10-16)21(22-23)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3,(H,24,25);/q;+1/p-1