5-[5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-keto-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

COC1=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/C22H18N2O6S/c1-29-17-10-7-15(8-11-17)19-14-22(25)24(23-19)16-9-12-20(21(13-16)31(26,27)28)30-18-5-3-2-4-6-18/h2-14,23H,1H3,(H,26,27,28)