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

Systemtic Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid hydrate Openeye Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid hydrate CAS Name: 3-(4,6-dimethoxy-3-pyridazinyl)benzenesulfonic acid hydrate IUPAC Name: 3-(4,6-dimethoxypyridazin-3-yl)benzenesulfonic acid hydrate Traditional Name: 3-(4,6-dimethoxypyridazin-3-yl)besylic acid hydrate Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S.H2O/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);1H2