5-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-methyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-keto-3-methyl-4-phenylazo-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C22H18N4O5S/c1-15-21(24-23-16-8-4-2-5-9-16)22(27)26(25-15)17-12-13-19(20(14-17)32(28,29)30)31-18-10-6-3-7-11-18/h2-14,21H,1H3,(H,28,29,30)