zinc 2-bromanyl-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide

Systemtic Name: zinc 2-bromanyl-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide Openeye Name: zinc 2-bromo-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide CAS Name: zinc 2-bromo-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide IUPAC Name: zinc 2-bromo-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide Traditional Name: zinc 2-bromo-5,10,15,20-tetrakis(4-chlorophenyl)porphine-23,24-diide Formula: C44H23BrCl4N4Zn MolecularWeight: 894.80522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)Br)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)Br)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Zn+2]

InChI

InChI=1S/C44H23BrCl4N4.Zn/c45-32-23-39-42(26-5-13-30(48)14-6-26)37-20-19-35(51-37)40(24-1-9-28(46)10-2-24)33-17-18-34(50-33)41(25-3-11-29(47)12-4-25)36-21-22-38(52-36)43(44(32)53-39)27-7-15-31(49)16-8-27;/h1-23H;/q-2;+2