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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC(=CC=C2)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC(=CC=C2)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

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