trisodium; cobalt(3+); 5-nitroso-6-oxidanidyl-naphthalene-2-sulfonate

Systemtic Name: trisodium; cobalt(3+); 5-nitroso-6-oxidanidyl-naphthalene-2-sulfonate Openeye Name: cobaltic trisodium 5-nitroso-6-oxido-naphthalene-2-sulfonate CAS Name: trisodium; cobalt(3+); 5-nitroso-6-oxido-2-naphthalenesulfonate IUPAC Name: trisodium; cobalt(3+); 5-nitroso-6-oxidonaphthalene-2-sulfonate Traditional Name: cobaltic trisodium 5-nitroso-6-oxido-naphthalene-2-sulfonate Formula: C30H15CoN3Na3O15S3 MolecularWeight: 881.54871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Co+3]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Co+3]

InChI

InChI=1S/3C10H7NO5S.Co.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6