2-[1,2-dioxin-3-yl(oxidanyl)methyl]-4-methyl-imidazole-1-sulfonic acid

Systemtic Name: 2-[1,2-dioxin-3-yl(oxidanyl)methyl]-4-methyl-imidazole-1-sulfonic acid Openeye Name: 2-[1,2-dioxin-3-yl(hydroxy)methyl]-4-methyl-imidazole-1-sulfonic acid CAS Name: 2-[1,2-dioxin-3-yl(hydroxy)methyl]-4-methyl-1-imidazolesulfonic acid IUPAC Name: 2-[1,2-dioxin-3-yl(hydroxy)methyl]-4-methylimidazole-1-sulfonic acid Traditional Name: 2-[hydroxy(o-dioxin-3-yl)methyl]-4-methyl-imidazole-1-sulfonic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C(C2=CC=COO2)O)S(=O)(=O)O

Isomeric SMILES

CC1=CN(C(=N1)C(C2=CC=COO2)O)S(=O)(=O)O

InChI

InChI=1S/C9H10N2O6S/c1-6-5-11(18(13,14)15)9(10-6)8(12)7-3-2-4-16-17-7/h2-5,8,12H,1H3,(H,13,14,15)