2-(5-oxidanidyl-1H-pyrazol-4-yl)-5-sulfonato-benzoate

Systemtic Name: 2-(5-oxidanidyl-1H-pyrazol-4-yl)-5-sulfonato-benzoate Openeye Name: 2-(5-oxido-1H-pyrazol-4-yl)-5-sulfonato-benzoate CAS Name: 2-(5-oxido-1H-pyrazol-4-yl)-5-sulfonatobenzoate IUPAC Name: 2-(5-oxido-1H-pyrazol-4-yl)-5-sulfonatobenzoate Traditional Name: 2-(5-oxido-1H-pyrazol-4-yl)-5-sulfonato-benzoate Formula: C10H5N2O6S-3 MolecularWeight: 281.2215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C2=C(NN=C2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C2=C(NN=C2)[O-]

InChI

InChI=1S/C10H8N2O6S/c13-9-8(4-11-12-9)6-2-1-5(19(16,17)18)3-7(6)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)(H,16,17,18)/p-3