3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-(3-chloro-6-oxo-pyridazin-1-yl)sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[(3-chloro-6-oxo-1-pyridazinyl)sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-(3-chloro-6-oxopyridazin-1-yl)sulfonyl-4-methoxybenzoic acid Traditional Name: 3-(3-chloro-6-keto-pyridazin-1-yl)sulfonyl-4-methoxy-benzoic acid Formula: C12H9ClN2O6S MolecularWeight: 344.72766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)Cl

InChI

InChI=1S/C12H9ClN2O6S/c1-21-8-3-2-7(12(17)18)6-9(8)22(19,20)15-11(16)5-4-10(13)14-15/h2-6H,1H3,(H,17,18)