sodium 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(phenylcarbonyl)-2-(trifluoromethyl)-1-benzofuran-4-carboxylate

Systemtic Name: sodium 5-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(phenylcarbonyl)-2-(trifluoromethyl)-1-benzofuran-4-carboxylate Openeye Name: sodium 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)benzofuran-4-carboxylate CAS Name: sodium 3-benzoyl-5-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-(trifluoromethyl)-4-benzofurancarboxylate IUPAC Name: sodium 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)-1-benzofuran-4-carboxylate Traditional Name: sodium 3-benzoyl-5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(trifluoromethyl)benzofuran-4-carboxylate Formula: C23H14F3N2NaO7 MolecularWeight: 510.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C3=C(C=C2)OC(=C3C(=O)C4=CC=CC=C4)C(F)(F)F)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C3=C(C=C2)OC(=C3C(=O)C4=CC=CC=C4)C(F)(F)F)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C23H15F3N2O7.Na/c1-32-14-10-15(33-2)28-22(27-14)35-13-9-8-12-16(17(13)21(30)31)18(20(34-12)23(24,25)26)19(29)11-6-4-3-5-7-11;/h3-10H,1-2H3,(H,30,31);/q;+1/p-1