sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Systemtic Name: sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Openeye Name: sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate CAS Name: sodium 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate IUPAC Name: sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Traditional Name: sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Formula: C19H17N4NaO8 MolecularWeight: 452.35005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1