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

Systemtic Name: 3-(4,6-diethoxypyridazin-3-yl)benzenesulfonic acid hydrate Openeye Name: 3-(4,6-diethoxypyridazin-3-yl)benzenesulfonic acid hydrate CAS Name: 3-(4,6-diethoxy-3-pyridazinyl)benzenesulfonic acid hydrate IUPAC Name: 3-(4,6-diethoxypyridazin-3-yl)benzenesulfonic acid hydrate Traditional Name: 3-(4,6-diethoxypyridazin-3-yl)besylic acid hydrate Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NN=C1C2=CC(=CC=C2)S(=O)(=O)O)OCC.O

Isomeric SMILES

CCOC1=CC(=NN=C1C2=CC(=CC=C2)S(=O)(=O)O)OCC.O

InChI

InChI=1S/C14H16N2O5S.H2O/c1-3-20-12-9-13(21-4-2)15-16-14(12)10-6-5-7-11(8-10)22(17,18)19;/h5-9H,3-4H2,1-2H3,(H,17,18,19);1H2