2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)oxy-3-ethoxy-3-methyl-butanoic acid

Systemtic Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)oxy-3-ethoxy-3-methyl-butanoic acid Openeye Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)oxy-3-ethoxy-3-methyl-butanoic acid CAS Name: 2-[(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)oxy]-3-ethoxy-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)oxy-3-ethoxy-3-methylbutanoic acid Traditional Name: 3-ethoxy-2-(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)oxy-3-methyl-butyric acid Formula: C14H23N2O8S+ MolecularWeight: 379.40602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)C(C(=O)O)OC1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC

Isomeric SMILES

CCOC(C)(C)C(C(=O)O)OC1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC

InChI

InChI=1S/C14H22N2O8S/c1-7-23-14(2,3)11(12(17)18)24-13-15-9(21-4)8-10(22-5)16(13)25(6,19)20/h8,11H,7H2,1-6H3/p+1