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

Systemtic Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methyl-3-oxidanyl-butanoic acid Openeye Name: 2-(4,6-dimethoxy-1-methylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-hydroxy-3-methyl-butanoic acid CAS Name: 2-[(4,6-dimethoxy-1-methylsulfonyl-2-pyrimidin-1-iumyl)thio]-3-hydroxy-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-methylsulfonylpyrimidin-1-ium-2-yl)sulfanyl-3-hydroxy-3-methylbutanoic acid Traditional Name: 3-hydroxy-2-[(1-mesyl-4,6-dimethoxy-pyrimidin-1-ium-2-yl)thio]-3-methyl-butyric acid Formula: C12H19N2O7S2+ MolecularWeight: 367.41846

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O7S2/c1-12(2,17)9(10(15)16)22-11-13-7(20-3)6-8(21-4)14(11)23(5,18)19/h6,9,17H,1-5H3/p+1