2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methyl]-4-methyl-imidazole-1-sulfonic acid

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methyl]-4-methyl-imidazole-1-sulfonic acid Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-4-methyl-imidazole-1-sulfonic acid CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-4-methyl-1-imidazolesulfonic acid IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-4-methylimidazole-1-sulfonic acid Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-4-methyl-imidazole-1-sulfonic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C(C2=CC3=C(C=C2)OCCO3)O)S(=O)(=O)O

Isomeric SMILES

CC1=CN(C(=N1)C(C2=CC3=C(C=C2)OCCO3)O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O6S/c1-8-7-15(22(17,18)19)13(14-8)12(16)9-2-3-10-11(6-9)21-5-4-20-10/h2-3,6-7,12,16H,4-5H2,1H3,(H,17,18,19)