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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)