4-[4-[(3-chloranyl-5-nitro-2-oxidanidyl-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[4-[(3-chloranyl-5-nitro-2-oxidanidyl-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[4-[(3-chloro-5-nitro-2-oxido-phenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[4-[(3-chloro-5-nitro-2-oxidophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[4-[(3-chloro-5-nitro-2-oxidophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[4-[(3-chloro-5-nitro-2-oxido-phenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C16H10ClN5O7S-2 MolecularWeight: 451.7979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

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