cobalt; (3E)-3-[[5-(methylsulfamoyl)-3-nitro-2-oxidanyl-phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid

Systemtic Name: cobalt; (3E)-3-[[5-(methylsulfamoyl)-3-nitro-2-oxidanyl-phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)-3-nitro-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid; cobalt CAS Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)-3-nitrophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid; cobalt IUPAC Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)-3-nitrophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid; cobalt Traditional Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)-3-nitro-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid; cobalt Formula: C46H38CoN10O18S4 MolecularWeight: 1206.04332

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=CC=CC=C4)S(=O)(=O)O)O)[N+](=O)[O-].CNS(=O)(=O)C1=CC(=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=CC=CC=C4)S(=O)(=O)O)O)[N+](=O)[O-].[Co]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C(=C1)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC4=CC=CC=C4)O)[N+](=O)[O-].CNS(=O)(=O)C1=CC(=C(C(=C1)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC4=CC=CC=C4)O)[N+](=O)[O-].[Co]

InChI

InChI=1S/2C23H19N5O9S2.Co/c2*1-24-38(33,34)16-11-18(23(30)19(12-16)28(31)32)26-27-21-20(39(35,36)37)10-13-9-15(7-8-17(13)22(21)29)25-14-5-3-2-4-6-14;/h2*2-12,24-26,30H,1H3,(H,35,36,37);/b2*27-21-;