3-(5-methoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-(5-methoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 3-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 3-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 3-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-(3-carbomethoxy-5-keto-3-pyrazolin-1-yl)besylic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O6S/c1-19-11(15)9-6-10(14)13(12-9)7-3-2-4-8(5-7)20(16,17)18/h2-6,12H,1H3,(H,16,17,18)