sodium; 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonate; 2-azanyl-4-nitro-phenol; benzene-1,3-diol; iron; sodium

Systemtic Name: sodium; 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonate; 2-azanyl-4-nitro-phenol; benzene-1,3-diol; iron; sodium Openeye Name: sodium; 3-amino-2-hydroxy-5-nitro-benzenesulfonate; 2-amino-4-nitro-phenol; benzene-1,3-diol; iron; sodium CAS Name: sodium; 3-amino-2-hydroxy-5-nitrobenzenesulfonate; 2-amino-4-nitrophenol; benzene-1,3-diol; iron; sodium IUPAC Name: sodium; 3-amino-2-hydroxy-5-nitrobenzenesulfonate; 2-amino-4-nitrophenol; benzene-1,3-diol; iron; sodium Traditional Name: sodium; 3-amino-2-hydroxy-5-nitro-besylate; 2-amino-4-nitro-phenol; iron; resorcinol; sodium Formula: C18H17FeN4Na2O11S MolecularWeight: 599.23732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N2O6S.C6H6N2O3.C6H6O2.Fe.2Na/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14;7-5-3-4(8(10)11)1-2-6(5)9;7-5-2-1-3-6(8)4-5;;;/h1-2,9H,7H2,(H,12,13,14);1-3,9H,7H2;1-4,7-8H;;;/q;;;;;+1/p-1