iron(3+); 3-nitronaphthalene-1,5-disulfonate

Systemtic Name: iron(3+); 3-nitronaphthalene-1,5-disulfonate Openeye Name: diferric 3-nitronaphthalene-1,5-disulfonate CAS Name: iron(3+); 3-nitronaphthalene-1,5-disulfonate IUPAC Name: iron(3+); 3-nitronaphthalene-1,5-disulfonate Traditional Name: diferric 3-nitronaphthalene-1,5-disulfonate Formula: C30H15Fe2N3O24S6 MolecularWeight: 1105.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Fe+3].[Fe+3]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Fe+3].[Fe+3]

InChI

InChI=1S/3C10H7NO8S2.2Fe/c3*12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;;/h3*1-5H,(H,14,15,16)(H,17,18,19);;/q;;;2*+3/p-6