sodium; cobalt(3+); 3-[(8-oxidanidylquinolin-5-yl)diazenyl]benzenesulfonate

Systemtic Name: sodium; cobalt(3+); 3-[(8-oxidanidylquinolin-5-yl)diazenyl]benzenesulfonate Openeye Name: cobaltic sodium 3-[(8-oxido-5-quinolyl)azo]benzenesulfonate CAS Name: sodium; cobalt(3+); 3-[(8-oxido-5-quinolinyl)azo]benzenesulfonate IUPAC Name: sodium; cobalt(3+); 3-[(8-oxidoquinolin-5-yl)diazenyl]benzenesulfonate Traditional Name: cobaltic sodium 3-[(8-oxido-5-quinolyl)azo]besylate Formula: C30H18CoN6NaO8S2 MolecularWeight: 736.55229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])N=NC2=C3C=CC=NC3=C(C=C2)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N=NC2=C3C=CC=NC3=C(C=C2)[O-].[Na+].[Co+3]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N=NC2=C3C=CC=NC3=C(C=C2)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N=NC2=C3C=CC=NC3=C(C=C2)[O-].[Na+].[Co+3]

InChI

InChI=1S/2C15H11N3O4S.Co.Na/c2*19-14-7-6-13(12-5-2-8-16-15(12)14)18-17-10-3-1-4-11(9-10)23(20,21)22;;/h2*1-9,19H,(H,20,21,22);;/q;;+3;+1/p-4