4,5-bis(chloranyl)-2-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 4,5-bis(chloranyl)-2-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 4,5-dichloro-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 4,5-dichloro-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 4,5-dichloro-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4,5-dichloro-2-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid Formula: C10H8Cl2N2O4S MolecularWeight: 323.15252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC(=C(C=C2S(=O)(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC(=C(C=C2S(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-6(11)7(12)4-9(8)19(16,17)18/h2-4,13H,1H3,(H,16,17,18)