2-(4-methyl-2-oxidanyl-6-oxidanylidene-3-sulfo-pyridin-1-yl)ethanoic acid

Systemtic Name: 2-(4-methyl-2-oxidanyl-6-oxidanylidene-3-sulfo-pyridin-1-yl)ethanoic acid Openeye Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfo-1-pyridyl)acetic acid CAS Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfo-1-pyridinyl)acetic acid IUPAC Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfopyridin-1-yl)acetic acid Traditional Name: 2-(2-hydroxy-6-keto-4-methyl-3-sulfo-1-pyridyl)acetic acid Formula: C8H9NO7S MolecularWeight: 263.22456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)CC(=O)O

InChI

InChI=1S/C8H9NO7S/c1-4-2-5(10)9(3-6(11)12)8(13)7(4)17(14,15)16/h2,13H,3H2,1H3,(H,11,12)(H,14,15,16)