disodium (4E)-4-[(4-methylphenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

Systemtic Name: disodium (4E)-4-[(4-methylphenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Openeye Name: disodium (4E)-5-oxo-4-(p-tolylhydrazono)-1-(4-sulfonatophenyl)pyrazole-3-carboxylate CAS Name: disodium (4E)-4-[(4-methylphenyl)hydrazinylidene]-5-oxo-1-(4-sulfonatophenyl)-3-pyrazolecarboxylate IUPAC Name: disodium (4E)-4-[(4-methylphenyl)hydrazinylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Traditional Name: disodium (4E)-5-keto-4-(p-tolylhydrazono)-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C17H12N4Na2O6S MolecularWeight: 446.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C17H14N4O6S.2Na/c1-10-2-4-11(5-3-10)18-19-14-15(17(23)24)20-21(16(14)22)12-6-8-13(9-7-12)28(25,26)27;;/h2-9,18H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-14+;;