disodium 1-(4-azanyl-2-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

Systemtic Name: disodium 1-(4-azanyl-2-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate Openeye Name: disodium 1-(4-amino-2-sulfonato-phenyl)-5-oxo-4H-pyrazole-3-carboxylate CAS Name: disodium 1-(4-amino-2-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate IUPAC Name: disodium 1-(4-amino-2-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate Traditional Name: disodium 1-(4-amino-2-sulfonato-phenyl)-5-keto-2-pyrazoline-3-carboxylate Formula: C10H7N3Na2O6S MolecularWeight: 343.22362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C(=NN(C1=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H9N3O6S.2Na/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16;;/h1-3H,4,11H2,(H,15,16)(H,17,18,19);;/q;2*+1/p-2