4-[(4E)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[(4-sulfophenyl)hydrazono]pyrazol-3-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[(4-sulfophenyl)hydrazinylidene]-3-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[(4-sulfophenyl)hydrazinylidene]pyrazol-3-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-[(4-sulfophenyl)hydrazono]pyrazol-3-yl]besylic acid Formula: C15H12N4O6S2 MolecularWeight: 408.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=CC2=NNC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C\2=NN=C/C2=N\NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O6S2/c20-26(21,22)12-5-1-10(2-6-12)15-14(9-16-19-15)18-17-11-3-7-13(8-4-11)27(23,24)25/h1-9,17H,(H,20,21,22)(H,23,24,25)/b18-14+