sodium; 2-[[2-azanidyl-6-(methylsulfamoyl)naphthalen-1-yl]diazenyl]-5-nitro-phenolate; cobalt(3+)

Systemtic Name: sodium; 2-[[2-azanidyl-6-(methylsulfamoyl)naphthalen-1-yl]diazenyl]-5-nitro-phenolate; cobalt(3+) Openeye Name: cobaltic sodium 2-[[2-azanidyl-6-(methylsulfamoyl)-1-naphthyl]azo]-5-nitro-phenolate CAS Name: sodium; 2-[[2-azanidyl-6-(methylsulfamoyl)-1-naphthalenyl]azo]-5-nitrophenolate; cobalt(3+) IUPAC Name: sodium; 2-[[2-azanidyl-6-(methylsulfamoyl)naphthalen-1-yl]diazenyl]-5-nitrophenolate; cobalt(3+) Traditional Name: cobaltic sodium 2-[[2-amidyl-6-(methylsulfamoyl)-1-naphthyl]azo]-5-nitro-phenolate Formula: C34H26CoN10NaO10S2 MolecularWeight: 880.68421

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)[NH-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].CNS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)[NH-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].[Na+].[Co+3]

Isomeric SMILES

CNS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)[NH-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].CNS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)[NH-])N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-].[Na+].[Co+3]

InChI

InChI=1S/2C17H14N5O5S.Co.Na/c2*1-19-28(26,27)12-4-5-13-10(8-12)2-6-14(18)17(13)21-20-15-7-3-11(22(24)25)9-16(15)23;;/h2*2-9,19H,1H3,(H2-,18,20,21,23);;/q2*-1;+3;+1/p-2