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

Systemtic Name: sodium (5Z)-5-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: sodium (5Z)-5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazono]-3-nitro-6-oxo-cyclohexa-1,3-diene-1-sulfonate CAS Name: sodium (5Z)-5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonate IUPAC Name: sodium (5Z)-5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: sodium (5Z)-5-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]hydrazono]-6-keto-3-nitro-cyclohexa-1,3-diene-1-sulfonate Formula: C16H11ClN5NaO7S MolecularWeight: 475.79561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C\2/C=C(C=C(C2=O)S(=O)(=O)[O-])[N+](=O)[O-])C3=CC(=CC=C3)Cl.[Na+]

InChI

InChI=1S/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,14,19H,1H3,(H,27,28,29);/q;+1/p-1/b18-12-;