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

Systemtic Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate hydrate Openeye Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate CAS Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate IUPAC Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate Traditional Name: sodium 5-carboxy-3-(4-chlorophenyl)-2,4-diketo-1H-pyrimidine-6-carboxylate hydrate Formula: C12H8ClN2NaO7 MolecularWeight: 350.64389

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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.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClN2O6.Na.H2O/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);;1H2/q;+1;/p-1