4-[(4E)-4-[(5-azanyl-2-methyl-phenyl)hydrazinylidene]-3-(dioxidanylmethyl)-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[(5-azanyl-2-methyl-phenyl)hydrazinylidene]-3-(dioxidanylmethyl)-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[(5-amino-2-methyl-phenyl)hydrazono]-3-(hydroperoxymethyl)-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[(5-amino-2-methylphenyl)hydrazinylidene]-3-(hydroperoxymethyl)-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[(5-amino-2-methylphenyl)hydrazinylidene]-3-(hydroperoxymethyl)-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-[(5-amino-2-methyl-phenyl)hydrazono]-3-(hydroperoxymethyl)-5-keto-2-pyrazolin-1-yl]besylic acid Formula: C17H17N5O6S MolecularWeight: 419.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COO

Isomeric SMILES

CC1=C(C=C(C=C1)N)N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)COO

InChI

InChI=1S/C17H17N5O6S/c1-10-2-3-11(18)8-14(10)19-20-16-15(9-28-24)21-22(17(16)23)12-4-6-13(7-5-12)29(25,26)27/h2-8,19,24H,9,18H2,1H3,(H,25,26,27)/b20-16+