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

Systemtic Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methyl-butanoic acid Openeye Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methyl-butanoic acid CAS Name: 2-[(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)thio]-3-methoxy-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)sulfanyl-3-methoxy-3-methylbutanoic acid Traditional Name: 2-[(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)thio]-3-methoxy-3-methyl-butyric acid Formula: C13H21N2O7S2+ MolecularWeight: 381.44504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC)OC

Isomeric SMILES

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C)OC)OC)OC

InChI

InChI=1S/C13H20N2O7S2/c1-13(2,22-5)10(11(16)17)23-12-14-8(20-3)7-9(21-4)15(12)24(6,18)19/h7,10H,1-6H3/p+1