iron(2+); 2,17,18,20-tetranitro-21,22-dihydroporphyrin

Systemtic Name: iron(2+); 2,17,18,20-tetranitro-21,22-dihydroporphyrin Openeye Name: ferrous 2,17,18,20-tetranitro-21,22-dihydroporphyrin CAS Name: iron(2+); 2,17,18,20-tetranitro-21,22-dihydroporphyrin IUPAC Name: iron(2+); 2,17,18,20-tetranitro-21,22-dihydroporphyrin Traditional Name: ferrous 2,17,18,20-tetranitro-21,22-dihydroporphine Formula: C20H10FeN8O8+2 MolecularWeight: 546.1872

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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)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C20H10N8O8.Fe/c29-25(30)15-8-13-6-11-2-1-9(21-11)5-10-3-4-12(22-10)7-14-18(26(31)32)20(28(35)36)17(24-14)19(27(33)34)16(15)23-13;/h1-8,21,23H;/q;+2