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

Systemtic Name: 4-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(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=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

InChI

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