2-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 2-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 2-(5-keto-3-phenyl-2-pyrazolin-1-yl)besylic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O4S/c18-15-10-12(11-6-2-1-3-7-11)16-17(15)13-8-4-5-9-14(13)22(19,20)21/h1-9H,10H2,(H,19,20,21)