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

Systemtic Name: potassium 4,6-bis(oxidanylidene)-1H-1,3,5-triazine-2-carboxylate hydrate Openeye Name: potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate hydrate CAS Name: potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate hydrate IUPAC Name: potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate hydrate Traditional Name: potassium 4,6-diketo-1H-s-triazine-2-carboxylate hydrate Formula: C4H4KN3O5 MolecularWeight: 218.155496

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=O)NC(=O)N1)C(=O)[O-].O.[K+]

Isomeric SMILES

C1(=[15N][13C](=O)[15NH][13C](=O)[15NH]1)C(=O)[O-].O.[K+]

InChI

InChI=1S/C4H3N3O4.K.H2O/c8-2(9)1-5-3(10)7-4(11)6-1;;/h(H,8,9)(H2,5,6,7,10,11);;1H2/q;+1;/p-1/i3+1,4+1,5+1,6+1,7+1;;