3-[4,6-bis(chloranyl)pyridazin-3-yl]benzenesulfonic acid hydrate

Systemtic Name: 3-[4,6-bis(chloranyl)pyridazin-3-yl]benzenesulfonic acid hydrate Openeye Name: 3-(4,6-dichloropyridazin-3-yl)benzenesulfonic acid hydrate CAS Name: 3-(4,6-dichloro-3-pyridazinyl)benzenesulfonic acid hydrate IUPAC Name: 3-(4,6-dichloropyridazin-3-yl)benzenesulfonic acid hydrate Traditional Name: 3-(4,6-dichloropyridazin-3-yl)besylic acid hydrate Formula: C10H8Cl2N2O4S MolecularWeight: 323.15252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NN=C(C=C2Cl)Cl.O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NN=C(C=C2Cl)Cl.O

InChI

InChI=1S/C10H6Cl2N2O3S.H2O/c11-8-5-9(12)13-14-10(8)6-2-1-3-7(4-6)18(15,16)17;/h1-5H,(H,15,16,17);1H2