sodium (5E)-3-methyl-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: sodium (5E)-3-methyl-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: sodium (5E)-3-methyl-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-6-oxo-cyclohexa-1,3-diene-1-sulfonate CAS Name: sodium (5E)-3-methyl-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienesulfonate IUPAC Name: sodium (5E)-3-methyl-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: sodium (5E)-6-keto-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]-3-methyl-cyclohexa-1,3-diene-1-sulfonate Formula: C17H15N4NaO5S MolecularWeight: 410.37957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C/C(=N\NC2C(=NN(C2=O)C3=CC=CC=C3)C)/C(=O)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N4O5S.Na/c1-10-8-13(16(22)14(9-10)27(24,25)26)18-19-15-11(2)20-21(17(15)23)12-6-4-3-5-7-12;/h3-9,15,19H,1-2H3,(H,24,25,26);/q;+1/p-1/b18-13+;