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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

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/h1-10,16H,(H,19,20,21)