4-[2-(5-oxidanylidene-4H-pyrazol-1-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-(5-oxidanylidene-4H-pyrazol-1-yl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(5-oxo-4H-pyrazol-1-yl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(5-oxo-4H-pyrazol-1-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(5-oxo-4H-pyrazol-1-yl)ethyl]benzenesulfonic acid Traditional Name: 4-[2-(5-keto-2-pyrazolin-1-yl)ethyl]besylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1=O)CCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1C=NN(C1=O)CCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H12N2O4S/c14-11-5-7-12-13(11)8-6-9-1-3-10(4-2-9)18(15,16)17/h1-4,7H,5-6,8H2,(H,15,16,17)