sodium 2,4-bis(chloranyl)-6-[5-(2-iodanylphenyl)-1-phenyl-pyrazol-4-yl]phenolate

Systemtic Name: sodium 2,4-bis(chloranyl)-6-[5-(2-iodanylphenyl)-1-phenyl-pyrazol-4-yl]phenolate Openeye Name: sodium 2,4-dichloro-6-[5-(2-iodophenyl)-1-phenyl-pyrazol-4-yl]phenolate CAS Name: sodium 2,4-dichloro-6-[5-(2-iodophenyl)-1-phenyl-4-pyrazolyl]phenolate IUPAC Name: sodium 2,4-dichloro-6-[5-(2-iodophenyl)-1-phenylpyrazol-4-yl]phenolate Traditional Name: sodium 2,4-dichloro-6-[5-(2-iodophenyl)-1-phenyl-pyrazol-4-yl]phenolate Formula: C21H12Cl2IN2NaO MolecularWeight: 529.13302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC(=CC(=C3[O-])Cl)Cl)C4=CC=CC=C4I.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=CC(=CC(=C3[O-])Cl)Cl)C4=CC=CC=C4I.[Na+]

InChI

InChI=1S/C21H13Cl2IN2O.Na/c22-13-10-16(21(27)18(23)11-13)17-12-25-26(14-6-2-1-3-7-14)20(17)15-8-4-5-9-19(15)24;/h1-12,27H;/q;+1/p-1