trisodium; iron; 5-nitroso-6-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: trisodium; iron; 5-nitroso-6-oxidanyl-naphthalene-2-sulfonate Openeye Name: trisodium; 6-hydroxy-5-nitroso-naphthalene-2-sulfonate; iron CAS Name: trisodium; 6-hydroxy-5-nitroso-2-naphthalenesulfonate; iron IUPAC Name: trisodium; 6-hydroxy-5-nitrosonaphthalene-2-sulfonate; iron Traditional Name: trisodium; 6-hydroxy-5-nitroso-naphthalene-2-sulfonate; iron Formula: C30H18FeN3Na3O15S3 MolecularWeight: 881.48433

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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+].[Fe]

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+].[Fe]

InChI

InChI=1S/3C10H7NO5S.Fe.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*+1/p-3