trisodium; iron(3+); (5E)-5-oxidanidylimino-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: trisodium; iron(3+); (5E)-5-oxidanidylimino-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: ferric trisodium (5E)-5-oxidoimino-6-oxo-naphthalene-2-sulfonate CAS Name: trisodium; iron(3+); (5E)-5-oxidoimino-6-oxo-2-naphthalenesulfonate IUPAC Name: trisodium; iron(3+); (5E)-5-oxidoimino-6-oxonaphthalene-2-sulfonate Traditional Name: ferric trisodium (5E)-6-keto-5-oxidoimino-naphthalene-2-sulfonate Formula: C30H15FeN3Na3O15S3 MolecularWeight: 878.46051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=N[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=O)C2=N[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=O)C2=N[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Fe+3]

Isomeric SMILES

C1=CC\2=C(C=C1S(=O)(=O)[O-])C=CC(=O)/C2=N/[O-].C1=CC\2=C(C=C1S(=O)(=O)[O-])C=CC(=O)/C2=N/[O-].C1=CC\2=C(C=C1S(=O)(=O)[O-])C=CC(=O)/C2=N/[O-].[Na+].[Na+].[Na+].[Fe+3]

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*1-5,13H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6/b3*11-10+;;;;