5-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-(3-chloro-6-oxo-pyridazin-1-yl)sulfonyl-2-methyl-benzoic acid CAS Name: 5-[(3-chloro-6-oxo-1-pyridazinyl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(3-chloro-6-oxopyridazin-1-yl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(3-chloro-6-keto-pyridazin-1-yl)sulfonyl-2-methyl-benzoic acid Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=O)C=CC(=N2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=O)C=CC(=N2)Cl)C(=O)O

InChI

InChI=1S/C12H9ClN2O5S/c1-7-2-3-8(6-9(7)12(17)18)21(19,20)15-11(16)5-4-10(13)14-15/h2-6H,1H3,(H,17,18)