trisodium; 6-azanidyl-5-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalene-2-sulfonate; cobalt(3+)

Systemtic Name: trisodium; 6-azanidyl-5-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalene-2-sulfonate; cobalt(3+) Openeye Name: cobaltic trisodium 6-azanidyl-5-(4-nitro-2-oxido-phenyl)azo-naphthalene-2-sulfonate CAS Name: trisodium; 6-azanidyl-5-(4-nitro-2-oxidophenyl)azo-2-naphthalenesulfonate; cobalt(3+) IUPAC Name: trisodium; 6-azanidyl-5-[(4-nitro-2-oxidophenyl)diazenyl]naphthalene-2-sulfonate; cobalt(3+) Traditional Name: cobaltic trisodium 6-amidyl-5-(4-nitro-2-oxido-phenyl)azo-naphthalene-2-sulfonate Formula: C32H18CoN8Na3O12S2 MolecularWeight: 898.56423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[NH-].C1=CC(=C(C=C1[N+](=O)[O-])[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[NH-].[Na+].[Na+].[Na+].[Co+3]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[NH-].C1=CC(=C(C=C1[N+](=O)[O-])[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[NH-].[Na+].[Na+].[Na+].[Co+3]

InChI

InChI=1S/2C16H11N4O6S.Co.3Na/c2*17-13-5-1-9-7-11(27(24,25)26)3-4-12(9)16(13)19-18-14-6-2-10(20(22)23)8-15(14)21;;;;/h2*1-8H,(H3-,17,18,19,21,24,25,26);;;;/q2*-1;+3;3*+1/p-4