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

Systemtic Name: sodium (3Z)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3Z)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3Z)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3Z)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3Z)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]cyclohexa-1,5-diene-1-sulfonate Formula: C16H13N4NaO5S MolecularWeight: 396.35299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C\2/C=C(C=CC2=O)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H14N4O5S.Na/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;/h2-9,15,18H,1H3,(H,23,24,25);/q;+1/p-1/b17-13-;