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

Systemtic Name: 5-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-keto-3-phenyl-3-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O5S/c24-21-14-18(15-7-3-1-4-8-15)22-23(21)16-11-12-19(20(13-16)29(25,26)27)28-17-9-5-2-6-10-17/h1-14,22H,(H,25,26,27)