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

Systemtic Name: sodium 5-carboxy-2,4-bis(oxidanylidene)-3-phenyl-1H-pyrimidine-6-carboxylate hydrate Openeye Name: sodium 5-carboxy-2,4-dioxo-3-phenyl-1H-pyrimidine-6-carboxylate hydrate CAS Name: sodium 5-carboxy-2,4-dioxo-3-phenyl-1H-pyrimidine-6-carboxylate hydrate IUPAC Name: sodium 5-carboxy-2,4-dioxo-3-phenyl-1H-pyrimidine-6-carboxylate hydrate Traditional Name: sodium 5-carboxy-2,4-diketo-3-phenyl-1H-pyrimidine-6-carboxylate hydrate Formula: C12H9N2NaO7 MolecularWeight: 316.19883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O6.Na.H2O/c15-9-7(10(16)17)8(11(18)19)13-12(20)14(9)6-4-2-1-3-5-6;;/h1-5H,(H,13,20)(H,16,17)(H,18,19);;1H2/q;+1;/p-1