22,23-dihydroporphyrin-2,3,5,7-tetrasulfonate; iron(2+)

Systemtic Name: 22,23-dihydroporphyrin-2,3,5,7-tetrasulfonate; iron(2+) Openeye Name: diferrous 22,23-dihydroporphyrin-2,3,5,7-tetrasulfonate CAS Name: 22,23-dihydroporphyrin-2,3,5,7-tetrasulfonate; iron(2+) IUPAC Name: 22,23-dihydroporphyrin-2,3,5,7-tetrasulfonate; iron(2+) Traditional Name: diferrous 22,23-dihydroporphine-2,3,5,7-tetrasulfonate Formula: C20H10Fe2N4O12S4 MolecularWeight: 738.263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC(=C(N3)C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC2=CC3=CC(=C(N3)C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Fe+2].[Fe+2]

InChI

InChI=1S/C20H14N4O12S4.2Fe/c25-37(26,27)15-8-13-6-11-2-1-9(21-11)5-10-3-4-12(22-10)7-14-18(38(28,29)30)20(40(34,35)36)17(24-14)19(16(15)23-13)39(31,32)33;;/h1-8,21,23H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;/q;2*+2/p-4