sodium 5-(diethylamino)-2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenolate

Systemtic Name: sodium 5-(diethylamino)-2-[4-(2-iodanylphenyl)-2-phenyl-pyrazol-3-yl]phenolate Openeye Name: sodium 5-(diethylamino)-2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenolate CAS Name: sodium 5-(diethylamino)-2-[4-(2-iodophenyl)-2-phenyl-3-pyrazolyl]phenolate IUPAC Name: sodium 5-(diethylamino)-2-[4-(2-iodophenyl)-2-phenylpyrazol-3-yl]phenolate Traditional Name: sodium 5-(diethylamino)-2-[4-(2-iodophenyl)-2-phenyl-pyrazol-3-yl]phenolate Formula: C25H23IN3NaO MolecularWeight: 531.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C4=CC=CC=C4I)[O-].[Na+]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C4=CC=CC=C4I)[O-].[Na+]

InChI

InChI=1S/C25H24IN3O.Na/c1-3-28(4-2)19-14-15-21(24(30)16-19)25-22(20-12-8-9-13-23(20)26)17-27-29(25)18-10-6-5-7-11-18;/h5-17,30H,3-4H2,1-2H3;/q;+1/p-1