disodium (4E)-5-oxidanylidene-4-(phenylhydrazinylidene)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

Systemtic Name: disodium (4E)-5-oxidanylidene-4-(phenylhydrazinylidene)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Openeye Name: disodium (4E)-5-oxo-4-(phenylhydrazono)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate CAS Name: disodium (4E)-5-oxo-4-(phenylhydrazinylidene)-1-(4-sulfonatophenyl)-3-pyrazolecarboxylate IUPAC Name: disodium (4E)-5-oxo-4-(phenylhydrazinylidene)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Traditional Name: disodium (4E)-5-keto-4-(phenylhydrazono)-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C16H10N4Na2O6S MolecularWeight: 432.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12N4O6S.2Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26;;/h1-9,17H,(H,22,23)(H,24,25,26);;/q;2*+1/p-2/b18-13+;;