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

Systemtic Name: disodium 1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate Openeye Name: disodium 1-(2-methyl-4-sulfonato-phenyl)-5-oxo-4H-pyrazole-3-carboxylate CAS Name: disodium 1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate IUPAC Name: disodium 1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate Traditional Name: disodium 5-keto-1-(2-methyl-4-sulfonato-phenyl)-2-pyrazoline-3-carboxylate Formula: C11H8N2Na2O6S MolecularWeight: 342.23556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)CC(=N2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)CC(=N2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H10N2O6S.2Na/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16;;/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19);;/q;2*+1/p-2