3-(5-methyl-4-oxidanylidene-3H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-(5-methyl-4-oxidanylidene-3H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 3-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 3-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 3-(5-methyl-4-oxo-3H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-(4-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O4S/c1-7-10(13)6-12(11-7)8-3-2-4-9(5-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)