magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diium-21,23-diide

Systemtic Name: magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diium-21,23-diide Openeye Name: magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diium-21,23-diide CAS Name: magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diium-21,23-diide IUPAC Name: magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diium-21,23-diide Traditional Name: magnesium 5,10,15,20-tetrakis(4-chlorophenyl)porphine-22,24-diium-21,23-diide Formula: C44H26Cl4MgN4+2 MolecularWeight: 776.82104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=[NH+]3)C(=C4C=CC(=C(C5=[NH+]C(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)Cl)C=C5)C8=CC=C(C=C8)Cl)[N-]4)C9=CC=C(C=C9)Cl)Cl.[Mg+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=[NH+]3)C(=C4C=CC(=C(C5=[NH+]C(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)Cl)C=C5)C8=CC=C(C=C8)Cl)[N-]4)C9=CC=C(C=C9)Cl)Cl.[Mg+2]

InChI

InChI=1S/C44H24Cl4N4.Mg/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H;/q-2;+2/p+2