zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin-22,24-diide Openeye Name: zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin-22,24-diide CAS Name: zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin-22,24-diide IUPAC Name: zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin-22,24-diide Traditional Name: zinc 5,10,15,20-tetrakis(2-nitrophenyl)porphine-22,24-diide Formula: C44H24N8O8Zn MolecularWeight: 858.11916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=CC=C9[N+](=O)[O-])[N-]3)[N+](=O)[O-].[Zn+2]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=CC=C9[N+](=O)[O-])[N-]3)[N+](=O)[O-].[Zn+2]

InChI

InChI=1S/C44H24N8O8.Zn/c53-49(54)37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50(55)56)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52(59)60)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51(57)58;/h1-24H;/q-2;+2