zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphyrin-22,23-diide Openeye Name: zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphyrin-22,23-diide CAS Name: zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphyrin-22,23-diide Traditional Name: zinc 5,15-bis[4-(4-nitrophenoxy)phenyl]porphine-22,23-diide Formula: C44H26N6O6Zn MolecularWeight: 800.12284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC8=CC=C(C=C8)[N+](=O)[O-])[N-]3)OC9=CC=C(C=C9)[N+](=O)[O-].[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC8=CC=C(C=C8)[N+](=O)[O-])[N-]3)OC9=CC=C(C=C9)[N+](=O)[O-].[Zn+2]

InChI

InChI=1S/C44H26N6O6.Zn/c51-49(52)33-9-17-37(18-10-33)55-35-13-1-27(2-14-35)43-39-21-5-29(45-39)25-31-7-23-41(47-31)44(42-24-8-32(48-42)26-30-6-22-40(43)46-30)28-3-15-36(16-4-28)56-38-19-11-34(12-20-38)50(53)54;/h1-26H;/q-2;+2