2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-azaniumyl]ethanoate Openeye Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl-methyl-ammonio]acetate CAS Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl-methylammonio]acetate IUPAC Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl-methylazaniumyl]acetate Traditional Name: 2-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl-methyl-ammonio]acetate Formula: C10H13NO6 MolecularWeight: 243.21332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=O)C=C(O1)CO)O)CC(=O)[O-]

Isomeric SMILES

C[NH+](CC1=C(C(=O)C=C(O1)CO)O)CC(=O)[O-]

InChI

InChI=1S/C10H13NO6/c1-11(4-9(14)15)3-8-10(16)7(13)2-6(5-12)17-8/h2,12,16H,3-5H2,1H3,(H,14,15)