sodium; chromium; (5Z)-5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate; hydrate

Systemtic Name: sodium; chromium; (5Z)-5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate; hydrate Openeye Name: sodium; chromium; (5Z)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazono]-3-nitro-6-oxo-cyclohexa-1,3-diene-1-sulfonate; hydrate CAS Name: sodium; chromium; (5Z)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonate; hydrate IUPAC Name: sodium; chromium; (5Z)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonate; hydrate Traditional Name: sodium; chromium; (5Z)-6-keto-5-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)hydrazono]-3-nitro-cyclohexa-1,3-diene-1-sulfonate; hydrate Formula: C16H14CrN5NaO8S MolecularWeight: 511.36193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].O.[Na+].[Cr]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C\3/C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].O.[Na+].[Cr]

InChI

InChI=1S/C16H13N5O7S.Cr.Na.H2O/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,18-19H,1H3,(H,26,27,28);;;1H2/q;;+1;/p-1/b17-12-;;;