5-(3,5-diphenylpyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3,5-diphenylpyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3,5-diphenylpyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3,5-diphenyl-1-pyrazolyl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3,5-diphenylpyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(3,5-diphenylpyrazol-1-yl)-2-phenoxy-besylic acid Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c30-34(31,32)27-18-22(16-17-26(27)33-23-14-8-3-9-15-23)29-25(21-12-6-2-7-13-21)19-24(28-29)20-10-4-1-5-11-20/h1-19H,(H,30,31,32)