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

Systemtic Name: 3-(4-chloranyl-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(4-chloro-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(4-chloro-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-(4-chloro-3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(4-chloro-5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H9ClN2O4S MolecularWeight: 288.70746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1Cl)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1Cl)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H9ClN2O4S/c1-6-9(11)10(14)13(12-6)7-3-2-4-8(5-7)18(15,16)17/h2-5,9H,1H3,(H,15,16,17)