trisodium; iron(3+); 3-nitroso-4-oxidanidyl-naphthalene-1-sulfonate

Systemtic Name: trisodium; iron(3+); 3-nitroso-4-oxidanidyl-naphthalene-1-sulfonate Openeye Name: ferric trisodium 3-nitroso-4-oxido-naphthalene-1-sulfonate CAS Name: trisodium; iron(3+); 3-nitroso-4-oxido-1-naphthalenesulfonate IUPAC Name: trisodium; iron(3+); 3-nitroso-4-oxidonaphthalene-1-sulfonate Traditional Name: ferric trisodium 3-nitroso-4-oxido-naphthalene-1-sulfonate Formula: C30H15FeN3Na3O15S3 MolecularWeight: 878.46051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Fe+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[O-])N=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Fe+3]

InChI

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