sodium 2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenolate

Systemtic Name: sodium 2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenolate Openeye Name: sodium 2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenolate CAS Name: sodium 2-[4-(2-iodophenyl)-2-phenyl-3-pyrazolyl]phenolate IUPAC Name: sodium 2-[4-(2-iodophenyl)-2-phenylpyrazol-3-yl]phenolate Traditional Name: sodium 2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenolate Formula: C21H14IN2NaO MolecularWeight: 460.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=CC=C3I)C4=CC=CC=C4[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC=CC=C3I)C4=CC=CC=C4[O-].[Na+]

InChI

InChI=1S/C21H15IN2O.Na/c22-19-12-6-4-10-16(19)18-14-23-24(15-8-2-1-3-9-15)21(18)17-11-5-7-13-20(17)25;/h1-14,25H;/q;+1/p-1