5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-imidazole-1-sulfonic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-imidazole-1-sulfonic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-imidazole-1-sulfonic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-1-imidazolesulfonic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylimidazole-1-sulfonic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-imidazole-1-sulfonic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=N1)S(=O)(=O)O)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(N(C=N1)S(=O)(=O)O)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H14N2O5S/c1-9-11(15(8-14-9)21(16,17)18)6-10-2-3-12-13(7-10)20-5-4-19-12/h2-3,7-8H,4-6H2,1H3,(H,16,17,18)