iron(2+); 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: iron(2+); 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: ferrous 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: iron(2+); 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: iron(2+); 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: ferrous 2,17,18,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphine Formula: C48H38FeN4O4+2 MolecularWeight: 790.68472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC.[Fe+2]

InChI

InChI=1S/C48H38N4O4.Fe/c1-53-38-17-5-29(6-18-38)42-27-37-26-35-14-13-33(49-35)25-34-15-16-36(50-34)28-43-44(30-7-19-39(54-2)20-8-30)45(31-9-21-40(55-3)22-10-31)48(52-43)46(47(42)51-37)32-11-23-41(56-4)24-12-32;/h5-28,49,51H,1-4H3;/q;+2