calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxo-pyrimidine-2,4-diolate CAS Name: calcium 5-(1-cyclohexenyl)-5-ethyl-6-oxopyrimidine-2,4-diolate IUPAC Name: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate Traditional Name: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-keto-pyrimidine-2,4-diolate Formula: C12H14CaN2O3 MolecularWeight: 274.32916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=NC(=NC1=O)[O-])[O-])C2=CCCCC2.[Ca+2]

Isomeric SMILES

CCC1(C(=NC(=NC1=O)[O-])[O-])C2=CCCCC2.[Ca+2]

InChI

InChI=1S/C12H16N2O3.Ca/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;+2/p-2