4-[[3-(dioxidanylmethyl)-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[3-(dioxidanylmethyl)-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[3-(hydroperoxymethyl)-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-[[3-(hydroperoxymethyl)-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-[[3-(hydroperoxymethyl)-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[3-(hydroperoxymethyl)-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]besylic acid Formula: C16H14N4O9S2 MolecularWeight: 470.43376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COO)S(=O)(=O)O

InChI

InChI=1S/C16H14N4O9S2/c21-16-15(18-17-10-1-5-12(6-2-10)30(23,24)25)14(9-29-22)19-20(16)11-3-7-13(8-4-11)31(26,27)28/h1-8,15,22H,9H2,(H,23,24,25)(H,26,27,28)