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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3S(=O)(=O)O

InChI

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