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

Systemtic Name: (4E)-4-[(4-azanyl-2-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(4-amino-2-sulfo-phenyl)hydrazono]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(4-amino-2-sulfophenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(4-amino-2-sulfophenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: (4E)-4-[(4-amino-2-sulfo-phenyl)hydrazono]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C16H13N5O9S2 MolecularWeight: 483.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=NNC3=C(C=C(C=C3)N)S(=O)(=O)O)C(=N2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)/C(=N/NC3=C(C=C(C=C3)N)S(=O)(=O)O)/C(=N2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H13N5O9S2/c17-8-1-6-11(12(7-8)32(28,29)30)18-19-13-14(16(23)24)20-21(15(13)22)9-2-4-10(5-3-9)31(25,26)27/h1-7,18H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)/b19-13+