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

Systemtic Name: potassium 5-carboxy-3-(4-methylphenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate hydrate Openeye Name: potassium 5-carboxy-2,4-dioxo-3-(p-tolyl)-1H-pyrimidine-6-carboxylate hydrate CAS Name: potassium 5-carboxy-3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate IUPAC Name: potassium 5-carboxy-3-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate Traditional Name: potassium 5-carboxy-2,4-diketo-3-(p-tolyl)-1H-pyrimidine-6-carboxylate hydrate Formula: C13H11KN2O7 MolecularWeight: 346.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(NC2=O)C(=O)[O-])C(=O)O.O.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(NC2=O)C(=O)[O-])C(=O)O.O.[K+]

InChI

InChI=1S/C13H10N2O6.K.H2O/c1-6-2-4-7(5-3-6)15-10(16)8(11(17)18)9(12(19)20)14-13(15)21;;/h2-5H,1H3,(H,14,21)(H,17,18)(H,19,20);;1H2/q;+1;/p-1