ethanoic acid; 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide; thallium

Systemtic Name: ethanoic acid; 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide; thallium Openeye Name: acetic acid; 5,10,15,20-tetrakis(4-pyridyl)porphyrin-22,24-diide; thallium CAS Name: acetic acid; 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide; thallium IUPAC Name: acetic acid; 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide; thallium Traditional Name: acetic acid; 5,10,15,20-tetrakis(4-pyridyl)porphine-22,24-diide; thallium Formula: C42H28N8O2Tl-2 MolecularWeight: 881.10742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.[Tl]

Isomeric SMILES

CC(=O)O.C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.[Tl]

InChI

InChI=1S/C40H24N8.C2H4O2.Tl/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;1-2(3)4;/h1-24H;1H3,(H,3,4);/q-2;;