4-(3-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)benzenesulfonic acid

Systemtic Name: 4-(3-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)benzenesulfonic acid Openeye Name: 4-(3-oxo-1,2-diphenyl-pyrazol-4-yl)benzenesulfonic acid CAS Name: 4-(3-oxo-1,2-diphenyl-4-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(3-oxo-1,2-diphenylpyrazol-4-yl)benzenesulfonic acid Traditional Name: 4-(3-keto-1,2-diphenyl-3-pyrazolin-4-yl)besylic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O4S/c24-21-20(16-11-13-19(14-12-16)28(25,26)27)15-22(17-7-3-1-4-8-17)23(21)18-9-5-2-6-10-18/h1-15H,(H,25,26,27)