5-oxidanylidene-4-(2-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-(2-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-oxo-4-(2-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: 5-oxo-4-(2-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-oxo-4-(2-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-(2-sulfophenyl)pyrazole-3-carboxylic acid Formula: C10H6N2O6S MolecularWeight: 282.22944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(N=NC2=O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(N=NC2=O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H6N2O6S/c13-9-7(8(10(14)15)11-12-9)5-3-1-2-4-6(5)19(16,17)18/h1-4H,(H,14,15)(H,16,17,18)