calcium 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate

Systemtic Name: calcium 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate Openeye Name: calcium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate CAS Name: calcium 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate IUPAC Name: calcium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate Traditional Name: calcium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate Formula: C13H10CaClN2O5+ MolecularWeight: 349.7599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Ca+2]

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Ca+2]

InChI

InChI=1S/C13H11ClN2O5.Ca/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+2/p-1