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

Systemtic Name: 2,5-bis(chloranyl)-4-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2,5-dichloro-benzenesulfonic acid CAS Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2,5-dichlorobenzenesulfonic acid IUPAC Name: 4-(3-acetyl-5-oxo-4H-pyrazol-1-yl)-2,5-dichlorobenzenesulfonic acid Traditional Name: 4-(3-acetyl-5-keto-2-pyrazolin-1-yl)-2,5-dichloro-besylic acid Formula: C11H8Cl2N2O5S MolecularWeight: 351.16262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8Cl2N2O5S/c1-5(16)8-4-11(17)15(14-8)9-2-7(13)10(3-6(9)12)21(18,19)20/h2-3H,4H2,1H3,(H,18,19,20)