3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid

Systemtic Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid Openeye Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid CAS Name: 3-(4,6-dimethoxy-3-pyridazinyl)benzenesulfonic acid IUPAC Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid Traditional Name: 3-(4,6-dimethoxypyridazin-3-yl)besylic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NN=C1C2=CC(=CC=C2)S(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=NN=C1C2=CC(=CC=C2)S(=O)(=O)O)OC

InChI

InChI=1S/C12H12N2O5S/c1-18-10-7-11(19-2)13-14-12(10)8-4-3-5-9(6-8)20(15,16)17/h3-7H,1-2H3,(H,15,16,17)