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

Systemtic Name: 4-chloranyl-3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: 4-chloro-3-(5-keto-3-methyl-2-pyrazolin-1-yl)besylate Formula: C10H8ClN2O4S- MolecularWeight: 287.69952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)/p-1