iron(2+); 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphyrin

Systemtic Name: iron(2+); 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphyrin Openeye Name: ferrous 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphyrin CAS Name: iron(2+); 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphyrin IUPAC Name: iron(2+); 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphyrin Traditional Name: ferrous 12,13,15,17-tetramethoxy-18-phenyl-21,22-dihydroporphine Formula: C30H26FeN4O4+2 MolecularWeight: 562.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2OC)C(=C5C6=CC=CC=C6)OC)N4)OC.[Fe+2]

Isomeric SMILES

COC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2OC)C(=C5C6=CC=CC=C6)OC)N4)OC.[Fe+2]

InChI

InChI=1S/C30H26N4O4.Fe/c1-35-27-23-16-21-13-11-19(32-21)14-18-10-12-20(31-18)15-22-24(17-8-6-5-7-9-17)28(36-2)25(33-22)29(37-3)26(34-23)30(27)38-4;/h5-16,31-32H,1-4H3;/q;+2