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

Systemtic Name: cobalt; (3E)-3-[[5-(methylsulfamoyl)-2-oxidanyl-phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid; cobalt CAS Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid; cobalt IUPAC Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid; cobalt Traditional Name: (3E)-7-anilino-3-[[2-hydroxy-5-(methylsulfamoyl)phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid; cobalt Formula: C46H40CoN8O14S4 MolecularWeight: 1116.0482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H20N4O7S2.Co/c2*1-24-35(30,31)17-8-10-20(28)19(13-17)26-27-22-21(36(32,33)34)12-14-11-16(7-9-18(14)23(22)29)25-15-5-3-2-4-6-15;/h2*2-13,24-26,28H,1H3,(H,32,33,34);/b2*27-22-;