sodium 5-carboxy-3-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-diketo-1H-pyrimidine-6-carboxylate Formula: C12H6ClN2NaO6 MolecularWeight: 332.62861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(NC2=O)C(=O)[O-])C(=O)O)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(NC2=O)C(=O)[O-])C(=O)O)Cl.[Na+]

InChI

InChI=1S/C12H7ClN2O6.Na/c13-5-1-3-6(4-2-5)15-9(16)7(10(17)18)8(11(19)20)14-12(15)21;/h1-4H,(H,14,21)(H,17,18)(H,19,20);/q;+1/p-1