(4E)-4-[(5-methyl-2-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[(5-methyl-2-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(5-methyl-2-sulfo-phenyl)hydrazono]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(5-methyl-2-sulfophenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(5-methyl-2-sulfophenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: (4E)-5-keto-4-[(5-methyl-2-sulfo-phenyl)hydrazono]-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C17H14N4O9S2 MolecularWeight: 482.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O9S2/c1-9-2-7-13(32(28,29)30)12(8-9)18-19-14-15(17(23)24)20-21(16(14)22)10-3-5-11(6-4-10)31(25,26)27/h2-8,18H,1H3,(H,23,24)(H,25,26,27)(H,28,29,30)/b19-14+